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84110-34-9 ((2-甲基丙基)硼酸(1S,2S,3R,5S)-(＋)-2,3-蒎烷二醇酯,(1S,2S,6R,8S)-4-isobutyl-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.0²⁶]decane)

结构式：

(2-甲基丙基)硼酸(1S,2S,3R,5S)-(＋)-2,3-蒎烷二醇酯结构式图片|84110-34-9结构式图片

(2-甲基丙基)硼酸(1S,2S,3R,5S)-(＋)-2,3-蒎烷二醇酯MOL文件

CAS号：

84110-34-9

中文名称：

(2-甲基丙基)硼酸(1S,2S,3R,5S)-(＋)-2,3-蒎烷二醇酯

英文名称：

(1S,2S,6R,8S)-4-isobutyl-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.0²⁶]decane

分子式：

C₁₄H₂₅BO₂

分子量：

236.158104658127

API：

相关分类：

溶剂及有机化学品 > 有机化合物 > 酸/酯类

其他 > 化学试剂 > 衍生化试剂

溶剂及有机化学品 > 有机化合物 > Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids

溶剂及有机化学品 > 有机化合物 > Lipids and lipid-like molecules > Prenol lipids > Bicyclic monoterpenoids

硼酸及其衍生物

(2-甲基丙基)硼酸(1S,2S,3R,5S)-(＋)-2,3-蒎烷二醇酯(84110-34-9)名称与标识符

名称

中文别名：

(2-甲基丙基)硼酸(1S,2S,3R,5S)-(+)-2,3-蒎烷二醇酯;(3aS,4S,6S,7aR)-2-异丁基-3a,5,5-三甲基六氢-4,6-桥亚甲基-1,3,2-苯并二氧杂环戊硼烷;2-甲基丙基硼酸(1S,2S,3R,5S)-(+)-2,3-蒎烷二醇酯;2-甲基丙烷硼酸-(1S,2S,3R,5S)-(+)-2,3-频二醇酯;(+)-蒎烷二醇异丁基硼酸酯;2-甲基丙基硼酸 (1S,2S,3R,5S)-(+)-2,3-蒎烷二醇酯;

英文别名：

(3aS,4S,6S,7aR)-2-Isobutyl-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborole;2-(2-methylpropyl)-(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborole;2-Methylpropaneboronic acid (1S,2S,3R,5S)-(+)-2,3-pinanediol ester;4,6-Methano-1,3,2-benzodioxaborole,hexahydro-3a,5,5-trimethyl-2-(2-methylpropyl)-, (3aS,4S,6S,7aR)-;Bortezomib Impurity 34;(1S,2S,6R,8S)-4-isobutyl-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.0²⁶]decane;(3aS,4S,6S,7aR)-Hexahydro-3a,5,5-trimethyl-2-(2-methylpropyl)-4,6-methano-1,3,2-benzodioxaborole (ACI);4,6-Methano-1,3,2-benzodioxaborole, hexahydro-3a,5,5-trimethyl-2-(2-methylpropyl)-, [3aS-(3aα,4β,6β,7aα)]- (ZCI);(+)-Pinanediol 2-methylpropyl-1-boronate;

标识符

MDL：

MFCD09837626

InChIKey：

QGWQMLAZUPRXGK-FMSGJZPZSA-N

Inchi：

1S/C14H25BO2/c1-9(2)8-15-16-12-7-10-6-11(13(10,3)4)14(12,5)17-15/h9-12H,6-8H2,1-5H3/t10-,11-,12+,14-/m0/s1

SMILES：

C[C@@]12OB(CC(C)C)O[C@@H]1C[C@@H]1C[C@H]2C1(C)C

(2-甲基丙基)硼酸(1S,2S,3R,5S)-(＋)-2,3-蒎烷二醇酯(84110-34-9)物化性质

实验特性

LogP : 3.37070
PSA : 18.46000
沸点 : 272.3±9.0 ºC (760 Torr),
闪点 : 118.5±18.7 ºC,
密度 : 0.97±0.1 g/cm3 (20 ºC 760 Torr),

计算特性

精确分子量 : 236.19500
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 2
重原子数量 : 17

(2-甲基丙基)硼酸(1S,2S,3R,5S)-(＋)-2,3-蒎烷二醇酯(84110-34-9)安全信息

危害声明：H315; H319; H335
警示性声明：P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
储存条件： Store at room temperature
信号词： Warning

(2-甲基丙基)硼酸(1S,2S,3R,5S)-(＋)-2,3-蒎烷二醇酯(84110-34-9)海关数据

海关编码：

2931900090

海关数据：

中国海关编码：

2931900090

概述：

2931900090. 其他有机-无机化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:6.5%. 普通关税:30.0%

Summary：

2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

(2-甲基丙基)硼酸(1S,2S,3R,5S)-(＋)-2,3-蒎烷二醇酯(84110-34-9)推荐厂家更多厂家(36)

公司名称	手机号/电话	联系人	QQ	微信	询单
深圳菲斯生物科技有限公司	18925202235	周美娇	2850179284		询单
郑州阿尔法化工有限公司	15324716602 0371-55013243	刘经理	2853979810		询单
湖北方德新材料有限公司	18086096695	邱经理	1462312301		询单
湖北瑞诺医药科技有限公司	13165688766	汪经理	3008058303		询单
湖北扬信医药科技有限公司	18071854684 0714-3999001	程舒畅	2885409691		询单
湖北诺纳科技有限公司	17386169806 027-59209883	张经理	1141855188		询单
上海创赛科技有限公司	15021221957 021-59553580	凌度	2852351983		询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364		询单
上海一基实业有限公司	13311756131 021-60548336 QQ：2355265332 QQ:2851717387	胡经理	2355265332		询单
上海绩祥生物科技有限公司	13093077543	陆经理	3985448220		询单

(2-甲基丙基)硼酸(1S,2S,3R,5S)-(＋)-2,3-蒎烷二醇酯(84110-34-9)合成路线

合成路线：1 步

_99%

反应条件：

1.1 Solvents: Hexane ; 5 h, reflux; reflux → rt

参考文献：

Synthesis of (S)-(+)-pinanediol-1-chloro-3-methylbutyl-1-boronate

Fu, Xuejiao; Yuan, Shenfeng; Chen, Zhirong; Yin, Hong, Jingxi Huagong, 2011, 28(12), 1233-1235

合成路线：1 步

_97%

反应条件：

1.1 Solvents: Diethyl ether ; 7 h, 25 °C

参考文献：

Design, synthesis and docking studies of novel dipeptidyl boronic acid proteasome inhibitors constructed from αα- and αβ-amino acids

Shi, Jingmiao ; Lei, Meng; Wu, Wenkui; Feng, Huayun; Wang, Jia; et al, Bioorganic & Medicinal Chemistry Letters, 2016, 26(8), 1958-1962

合成路线：1 步

_97%

反应条件：

1.1 Solvents: Diethyl ether ; 23 h, rt

参考文献：

Amorphous [(1R)-3-methyl-1-[[(2S)-1-oxo-3-phenyl-2-[(pyrazinylcarbonyl)amino]propyl]amino]butyl]boronic acid

Anonymous, IP.com Journal, 2009, 9,

合成路线：1 步

_97%

反应条件：

1.1 Solvents: Diethyl ether ; rt

参考文献：

Synthesis and biological evaluation of boron peptide analogues of Belactosin C as proteasome inhibitors

Nakamura, Hiroyuki; Watanabe, Mizuyoshi; Ban, Hyun Seung; Nabeyama, Wataru; Asai, Akira, Bioorganic & Medicinal Chemistry Letters, 2009, 19(12), 3220-3224

合成路线：1 步

_96%

反应条件：

1.1 Solvents: Diethyl ether ; 4 h, rt

参考文献：

Potent and selective peptidyl boronic acid inhibitors of the serine protease prostate-specific antigen

LeBeau, Aaron M.; Singh, Pratap; Isaacs, John T.; Denmeade, Samuel R., Chemistry & Biology (Cambridge, 2008, 15(7), 665-674

合成路线：1 步

_95%

反应条件：

1.1 Solvents: Diethyl ether ; 24 h, rt

参考文献：

Proteasome Inhibitors with Photocontrolled Activity

Hansen, Mickel J.; Velema, Willem A.; de Bruin, Gerjan; Overkleeft, Herman S.; Szymanski, Wiktor; et al, ChemBioChem, 2014, 15(14), 2053-2057

合成路线：1 步

_95%

反应条件：

1.1 Reagents: Sodium sulfate Solvents: Diethyl ether

参考文献：

Further characterization of a putative serine protease contributing to the γ-secretase cleavage of β-amyloid precursor protein

Peuchmaur, Marine; Lacour, Marie-Agnes; Sevalle, Jean; Lisowski, Vincent; Touati-Jallabe, Youness; et al, Bioorganic & Medicinal Chemistry, 2013, 21(4), 1018-1029

合成路线：1 步

_95%

反应条件：

1.1 Reagents: Sulfuric acid magnesium salt (1:1) Solvents: Diethyl ether ; overnight, rt

参考文献：

Expanding the scope of PNA-encoded libraries: divergent synthesis of libraries targeting cysteine, serine and metallo-proteases as well as tyrosine phosphatases

Debaene, Francois; Da Silva, Julien A.; Pianowski, Zbigniew; Duran, Fernando J.; Winssinger, Nicolas, Tetrahedron, 2007, 63(28), 6577-6586

(2-甲基丙基)硼酸(1S,2S,3R,5S)-(＋)-2,3-蒎烷二醇酯(84110-34-9)上下游

(+)-pinanediol 氯碘甲烷异丁基硼酸异丁基溴化镁 (17% 四氢呋喃)

(2-甲基丙基)硼酸(1S,2S,3R,5S)-(＋)-2,3-蒎烷二醇酯(84110-34-9) MSDS

基础信息

Material Safety Data Sheet

Section 1. Identi?cation of the substance
Product Name: 2-Methylpropaneboronic acid (1S,2S,3R,5S)-(+)-2,3-pinanediol ester
Synonyms:

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

Section 3. Composition/information on ingredients.
Ingredient name: 2-Methylpropaneboronic acid (1S,2S,3R,5S)-(+)-2,3-pinanediol ester
CAS number: 84110-34-9

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, under ?20?C.
    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:        C14H25BO2
    Molecular weight:        236.2

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

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

目录

相关化合物

123706-53-6(2-(cyclohexylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane) 98541-36-7(正丁烷-2-硼酸(1S,2S,3R,5S)-(+)-2,3-频二醇酯) 85167-10-8(正丁基硼酸(1S,2S,3R,5S)-(+)-2,3-蒎烷二醇酯) 1073355-27-7(3,3-二甲基双环[2.2.1]庚基-2-甲基硼酸频那醇酯) 476335-09-8(醋酸氟孕酮) 807319-94-4((2S)-1-Isopropyl-2-methylpiperazine) 80812-32-4(3-(p-Tolylsulfonylamino)-5-fluorouracil) 808127-97-1(5-Methylnicotinohydrazide)

相关产品

(2-甲基丙基)硼酸(1S,2S,3R,5S)-(+)-2,3-蒎烷二醇酯 (2-甲基丙基)硼酸(1S,2S,3R,5S)-(+)-2,3-蒎烷二醇酯

相关产品厂家

(2-甲基丙基)硼酸(1S,2S,3R,5S)-(+)-2,3-蒎烷二醇酯厂家 (2-甲基丙基)硼酸(1S,2S,3R,5S)-(+)-2,3-蒎烷二醇酯厂家

问答

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