931-16-8 ((1R,2R)-(-)-2-氨基环己醇,(1R,2R)-2-aminocyclohexan-1-ol)

快速询单

结构式：

(1R,2R)-(-)-2-氨基环己醇MOL文件

CAS号：

931-16-8

中文名称：

(1R,2R)-(-)-2-氨基环己醇

英文名称：

(1R,2R)-2-aminocyclohexan-1-ol

分子式：

C₆H₁₃NO

分子量：

115.173521757126

(1R,2R)-(-)-2-氨基环己醇(931-16-8)名称与标识符

名称

中文别名：

(1R,2R)-(-)-2-氨基环己醇;(1R,2R)-2-氨环己醇;(1R,2R)-(-)-2-氨基环己醇盐酸盐;(1R,2R)-2-氨基环己醇;2-(Boc-氨基)-2-甲基-1-丙醇;N-CBZ-3-羟基吡咯烷;1R,2R-氨基环己醇盐酸盐;

英文别名：

(1R,2R)-2-Aminocyclohexanol;(1R,2R)-(-)-2-Aminocyclohenanol;(R)-2-Aminocyclohenanol;(1R,2R)-2-AMinocyclohexan-1-ol;1R,2R-2-Aminocyclohenanol hydrochloride;R-ACN;(R)-2-Aminocyclohexanol R-Acn;(1R, 2R)-2-Aminocyclohexanol;trans-2-Aminocyclohexanol;trans-2-Amino-cyclohexanol;Cyclohexanol, 2-amino-, (1R,2R)-;(1R,2R)-2-aminocylohexanol;Cyclohexanol, 2-amino-, (1R,2R)-rel-;(1R,2R)-2-amino-1-cyclohexanol;(1R,2R)-2-Aminocylohexanol HCl;trans-2-Aminocyclohexanol hydrochloride;rel-(1R,2R)-2-aminocyclohexanol;PubChem19553;trans 2-aminocyclohexanol;(trans)-2-amino-cyclohexanol;trans-2-hydroxy-cyclohexylamine;(1R,2R)-2-Aminocyclohexanol (ACI);Cyclohexanol, 2-amino-, (1R-trans)- (ZCI);(1R,2R)-trans-2-Aminocyclohexanol;[(1R,2R)-2-Hydroxycyclohexyl]amine;A844451;DTXSID201310006;J-524992;AM62781;rel-(1R,2R)-2-Aminocyclohexan-1-ol;6982-39-4;Specs an-907/25060015;rac-(1R,2R)-2-aminocyclohexan-1-ol;CS-W003455;PQMCFTMVQORYJC-PHDIDXHHSA-N;MFCD03427291;EN300-261568;((1R,2R)-2-hydroxy-cyclohexyl)-amine;trans-(+/-)-2-aminocyclohexanol;(1RS,2R)-2-aminocyclohexan-1-ol;AS-83222;931-16-8;(1R,2R)-2-amino-cyclohexanol;(R)-2-aminocyclohexanol, AldrichCPR;MFCD08061325;SCHEMBL213812;EN300-140308;(1R,2R)-2-amino cyclohexanol;DS-17200;racemic trans-2-aminocyclohexanol;(+/-)-trans-2-Aminocyclohexanol;(1R,2R)-2-hydroxy-cyclohexylamine;AKOS015854171;(1R,2R)-(-)-2-aminocyclohexanol;DB-353138;BBL102086;STL555885;cyclohexane, trans-1-amino-2-hydroxy-;cyclohexane, 1-amino-2-hydroxy-;

标识符

MDL：

MFCD08061325

InChIKey：

PQMCFTMVQORYJC-PHDIDXHHSA-N

Inchi：

1S/C6H13NO/c7-5-3-1-2-4-6(5)8/h5-6,8H,1-4,7H2/t5-,6-/m1/s1

SMILES：

O[C@@H]1CCCC[C@H]1N

(1R,2R)-(-)-2-氨基环己醇(931-16-8)物化性质

实验特性

LogP : 0.94890
PSA : 46.25000
折射率 : 1.503
沸点 : 201.1°C at 760 mmHg
闪点 : 75.434ºC
密度 : 1.037 g/cm3

计算特性

精确分子量 : 115.10000
氢键供体数量 : 2
氢键受体数量 : 2
可旋转化学键数量 : 0
同位素质量 : 115.1
重原子数量 : 8
复杂度 : 74.9
同位素原子数量 : 0
确定原子立构中心数量 : 2
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : -0.1
拓扑分子极性表面积 : 46.2

(1R,2R)-(-)-2-氨基环己醇(931-16-8)安全信息

安全说明： 26-41
危险品标志： Xn
危害声明：H302-H315-H319-H332-H335
储存条件： Keep in dark place,Inert atmosphere,2-8°C
危险类别码： 22-41

(1R,2R)-(-)-2-氨基环己醇(931-16-8)海关数据

海关编码：

2922199090

海关数据：

中国海关编码：

2922199090

概述：

2922199090. 其他氨基醇及其醚，酯和它们的盐（但含一种以上含氧基的除外）. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%

申报要素：

品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装

Summary：

2922199090. other amino-alcohols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

(1R,2R)-(-)-2-氨基环己醇(931-16-8)推荐厂家更多厂家(40)

公司名称	手机号/电话	联系人	QQ	询单
上海源叶生物科技有限公司	15026964105 15026964105	汤思磊	2881489226	询单
湖北方德新材料有限公司	18086096695	邱经理	1462312301	询单
山东玖玥生物科技有限公司	15553333686	张文杰	643971	询单
湖北瑞科化工有限公司	13545904560	石经理	1689694891	询单
上海一基实业有限公司	13311756052 021-60526763 13311756052 13311756131	胡经理	2355265332	询单
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上海一基实业有限公司	13311756131 021-60548336 QQ：2355265332 QQ:2851717387	胡经理	2355265332	询单
上海创赛科技有限公司	15021221957 021-59553580	凌度	2852351983	询单
上海绩祥生物科技有限公司	13093077543	陆经理	3985448220	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单

(1R,2R)-(-)-2-氨基环己醇(931-16-8)合成路线

合成路线：1 步

155975-19-2

_100%

931-16-8

反应条件：

1.1 Reagents: Trifluoroacetic acid Solvents: Dichloromethane

参考文献：

Hybrid Organo- and Biocatalytic Process for the Asymmetric Transformation of Alcohols into Amines in Aqueous Medium

Liardo, Elisa; Rios-Lombardia, Nicolas; Moris, Francisco; Rebolledo, Francisca; Gonzalez-Sabin, Javier, ACS Catalysis, 2017, 7(7), 4768-4774

合成路线：1 步

141553-09-5

_97%

931-16-8

反应条件：

1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol ; 1 - 2 h, 3 atm, rt

参考文献：

An Improved And Efficient Process For The Scalable Preparation Of Optically Pure Trans-2-Aminocyclohexanols

Xue, Feng; Li, Chang-Gong; Zhu, Yong; Lou, Tian-Jun, Journal of Chemical Research, 2014, 38(5), 322-324

合成路线：1 步

141553-09-5

_97%

931-16-8

反应条件：

1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol ; 2 h, rt

参考文献：

Resolution of Racemic 2-Aminocyclohexanol Derivatives and Their Application as Ligands in Asymmetric Catalysis

Schiffers, Ingo; Rantanen, Toni; Schmidt, Frank; Bergmans, Werner; Zani, Lorenzo; et al, Journal of Organic Chemistry, 2006, 71(6), 2320-2331

合成路线：1 步

110716-77-3

_96%

931-16-8

反应条件：

1.1 Reagents: Trifluoroacetic acid Solvents: Methanol ; 30 min
1.2 Reagents: Hydrogen Catalysts: Platinum dioxide ; 40 h, rt

参考文献：

Helix-Forming Propensity of Aliphatic Urea Oligomers Incorporating Noncanonical Residue Substitution Patterns

Pendem, Nagendar; Douat, Celine; Claudon, Paul; Laguerre, Michel; Castano, Sabine; et al, Journal of the American Chemical Society, 2013, 135(12), 4884-4892

合成路线：1 步

286-20-4

_92%

931-16-8

反应条件：

1.1 Reagents: Ammonia Solvents: Methanol , Water ; 0 - 5 °C; overnight, 35 - 40 °C

参考文献：

Preparation of tert-butyl ((1R,2S)-2-aminocyclohexyl)carbamate and benzyl ((1R,2S)-2-aminocyclohexyl)carbamate

, China, , ,

合成路线：1 步

141553-09-5

_90%

931-16-8

反应条件：

1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol ; rt → 30 °C; 30 °C

参考文献：

Process for preparation of (1R,2R)-2-benzoxycyclohexanamine

, China, , ,

合成路线：1 步

286-20-4

_90%

931-16-8

反应条件：

1.1 Reagents: Ammonia Solvents: Water

参考文献：

Synthesis of aminoalcohols from epoxides and ammonia

McManus, Samuel P.; Larson, Charles A.; Hearn, Richard A., Synthetic Communications, 1973, 3(3), 177-80

合成路线：1 步

134108-75-1

_88%

931-16-8

反应条件：

1.1 Reagents: Hydrochloric acid Solvents: Methanol

参考文献：

Opening of epoxides with trimethylsilyl cyanide to produce β-hydroxy isonitriles. A general synthesis of oxazolines and β-amino alcohols

Gassman, Paul G.; Guggenheim, Thomas L., Journal of the American Chemical Society, 1982, 104(21), 5849-50

合成路线：1 步

110716-78-4

_86%

931-16-8

反应条件：

1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol

参考文献：

Metal(II) d-tartrates catalyzed asymmetric ring opening of oxiranes with various nucleophiles

Yamashita, Hiroyuki, Bulletin of the Chemical Society of Japan, 1988, 61(4), 1213-20

合成路线：1 步

110716-78-4

_86%

931-16-8

反应条件：

1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol

参考文献：

A new synthesis of optically active trans-β-amino alcohols by asymmetric ring-opening of symmetrical oxiranes

Yamashita, Hiroyuki, Chemistry Letters, 1987, (3), 525-8

合成路线：1 步

98462-58-9

_78%

931-16-8

反应条件：

1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol

参考文献：

Application of new chiral auxiliaries, trans-2-(N-arylsulfonyl-N-benzyl)cyclohexanols, in an asymmetric radical cyclization

Nishida, A.; Shirato, F.; Nakagawa, M., Tetrahedron: Asymmetry, 2000, 11(18), 3789-3805

合成路线：1 步

139753-27-8

_61%

931-16-8

反应条件：

1.1 Reagents: Sodium hydroxide , Hydrochloric acid , Hydrogen peroxide , Diborane

参考文献：

Synthesis and reactions of organic compounds with nitrogen atom. Part VIII. Action of diborane on some cyclic O-acetyl α,β-unsaturated aldo- and ketoximes

Przewoska-Ratajczak, Krystyna; Uzarewicz, Arkadiusz, Polish Journal of Chemistry, 1991, 65(5-6), 945-58

合成路线：1 步

98462-58-9

_60%

931-16-8

反应条件：

1.1 Reagents: Hydrogen Catalysts: Palladium dihydroxide Solvents: Ethanol ; 12 h, 50 Pa

参考文献：

Efficient ring opening of aziridines with carboxylic acids

Kumar, Manoj; Gandhi, Shikha; Kalra, Swinderjeet Singh; Singh, Vinod K., Synthetic Communications, 2008, 38(10), 1527-1532

合成路线：1 步

286-18-0

_52%

931-16-8

反应条件：

1.1 Reagents: Perchloric acid Solvents: Water

参考文献：

Cyclohexenimine (7-azabicyclo[4.1.0]heptane) and the stereochemistry of ethylenimine ring-closure and opening

Paris, Olden E.; Fanta, Paul E., Journal of the American Chemical Society, 1952, 74, 3007-10

合成路线：1 步

286-20-4

931-16-8

反应条件：

1.1 Reagents: Phenyl carbamate Catalysts: stereoisomer of [μ-[(4aS,27aS,31aS,54aS)-9,23,36,50-Tetrakis(1,1-dimethylethyl)-… , Stereoisomer of [μ3-[(4aS,27aS,31aS,54aS,58aS,81aS)-9,23,36,50,63,77-hexakis(1,1… Solvents: Acetonitrile ; 48 h, 50 °C; 50 °C → rt
1.2 Solvents: Dichloromethane ; 1 h, rt
1.3 Reagents: Potassium hydroxide Solvents: Ethanol , Water ; 1 min, rt; 20 h, 85 °C; 85 °C → rt
1.4 Reagents: Potassium hydroxide Solvents: Water ; rt
1.5 Solvents: Toluene ; heated; rt; rt → 4 °C

参考文献：

A Practical Method for the Synthesis of Highly Enantioenriched trans-1,2-Amino Alcohols

Birrell, James A.; Jacobsen, Eric N., Organic Letters, 2013, 15(12), 2895-2897

合成路线：1 步

216586-54-8

931-16-8

反应条件：

1.1 Reagents: Hydrazine hydrate (1:1) Solvents: Water ; 3 h, 60 °C

参考文献：

Cyclic trans-β-amino alcohols: preparation and enzymatic kinetic resolution

Rouf, Abdul; Gupta, Pankaj; Aga, Mushtaq A.; Kumar, Brijesh; Parshad, Rajinder; et al, Tetrahedron: Asymmetry, 2011, 22(24), 2134-2143

合成路线：1 步

110716-78-4

931-16-8

反应条件：

1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol

参考文献：

Asymmetric ring-opening of cyclohexene oxide with trimethylsilyl azide in the presence of titanium isopropoxide/chiral ligand

Emziane, M.; Sutowardoyo, K. I.; Sinou, D., Journal of Organometallic Chemistry, 1988, 346(1),

合成路线：1 步

98523-66-1

931-16-8

反应条件：

1.1 Reagents: Ammonium formate Catalysts: Palladium Solvents: Dimethylformamide

参考文献：

A convenient method for obtaining trans-2-aminocyclohexanol and trans-2-aminocyclopentanol in enantiomerically pure form

Overman, L. E.; Sugai, S., Journal of Organic Chemistry, 1985, 50(21), 4154-5

合成路线：1 步

931-16-8

参考文献：

Preparation of optically active trans-2-aminocyclohexanol

, World Intellectual Property Organization, , ,

合成路线：1 步

931-16-8

参考文献：

Method for producing optically active trans-2-aminocyclohexanol and derivative thereof

, World Intellectual Property Organization, , ,

(1R,2R)-(-)-2-氨基环己醇(931-16-8)相关文献

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(1R,2R)-(-)-2-氨基环己醇(931-16-8)参考资料

Beilstein：

R195900

PubChem CID：

735777

(1R,2R)-(-)-2-氨基环己醇(931-16-8) MSDS

基础信息

Material Safety Data Sheet

Section 1. Identi?cation of the substance
Product Name: (1R,2R)-2-Aminocyclohexan-1-ol
Synonyms:

Section 2. Hazards identi?cation
Harmful by inhalation, in contact with skin, and if swallowed.

Section 3. Composition/information on ingredients.
Ingredient name: (1R,2R)-2-Aminocyclohexan-1-ol
CAS number: 931-16-8

Section 4. First aid measures
    Skin contact:        Immediately wash skin with copious amounts of water for at least 15 minutes while removing
    contaminated clothing and shoes. If irritation persists, seek medical attention.
    Eye contact:        Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
    ?ushing of the eyes by separating the eyelids with ?ngers. If irritation persists, seek medical
    attention.
    Inhalation:        Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
    Ingestion:        Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section 5. Fire ?ghting measures
    In the event of a ?re involving this material, alone or in combination with other materials, use dry
    powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
    should be worn.

Section 6. Accidental release measures
    Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
    standards.
    Respiratory precaution:        Wear approved mask/respirator
    Hand precaution:        Wear suitable gloves/gauntlets
    Skin protection:        Wear suitable protective clothing
    Eye protection:        Wear suitable eye protection
    Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
    for disposal. See section 12.
    Environmental precautions: Do not allow material to enter drains or water courses.

Section 7. Handling and storage
    Handling:        This product should be handled only by, or under the close supervision of, those properly quali?ed
    in the handling and use of potentially hazardous chemicals, who should take into account the ?re,
    health and chemical hazard data given on this sheet.
    Store in closed vessels, refrigerated.
    Storage:

Section 8. Exposure Controls / Personal protection
    Engineering Controls: Use only in a chemical fume hood.
    Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
    General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section 9. Physical and chemical properties
    Appearance:        Not speci?ed
    Boiling point:        No data
    No data
    Melting point:
    Flash point:        No data
    Density:        No data
    Molecular formula:        C6H13NO
    Molecular weight:        115.2

Section 10. Stability and reactivity
    Conditions to avoid: Heat, ?ames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

Section 11. Toxicological information
No data.

Section 12. Ecological information
No data.

Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section 14. Transportation information
Non-harzardous for air and ground transportation.

Section 15. Regulatory information
    No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
    302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
    Title III, Section 313.

SECTION 16 - ADDITIONAL INFORMATION
N/A