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  4. N-(4-甲基-2-吡啶基)-氨基甲酸-1,1-二甲基乙酯 | 90101-20-5

90101-20-5 (N-(4-甲基-2-吡啶基)-氨基甲酸-1,1-二甲基乙酯,tert-butyl N-(4-methylpyridin-2-yl)carbamate)

快速询单
结构式：
N-(4-甲基-2-吡啶基)-氨基甲酸-1,1-二甲基乙酯结构式图片|90101-20-5结构式图片
N-(4-甲基-2-吡啶基)-氨基甲酸-1,1-二甲基乙酯MOL文件
CAS号：
90101-20-5
中文名称：
N-(4-甲基-2-吡啶基)-氨基甲酸-1,1-二甲基乙酯
英文名称：
tert-butyl N-(4-methylpyridin-2-yl)carbamate
安全信息：
分子式：
C11H16N2O2
分子量：
208.256942749023
相关分类：
溶剂及有机化学品 > 有机化合物 > Organoheterocyclic compounds > Pyridines and derivatives > Methylpyridines

N-(4-甲基-2-吡啶基)-氨基甲酸-1,1-二甲基乙酯(90101-20-5)名称与标识符

名称

中文别名：
N-(4-甲基-2-吡啶基)-氨基甲酸-1,1-二甲基乙酯;2-(Boc-氨基)-4-甲基吡啶;2-[(叔丁氧羰基)氨基]-4-甲基吡啶;
英文别名：
(4-METHYL-PYRIDIN-2-YL)-CARBAMIC ACID TERT-BUTYL ESTER;(4-Methyl-Pyridin-2-yl)Carbamic Acid Tert-Butyl Ester;2-(Boc-amino)-4-methylpyridine;Carbamic acid, N-(4-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester;tert-butyl N-(4-methylpyridin-2-yl)carbamate;2-(t-butyloxycarbonylamino)-4-methylpyridine;2-[N-(tert-butoxycarbonyl)amino]-4-methylpyridine;2-Boc-amino-4-methylpyridine;2-tert-butoxycarbonylamino-4-methylpyridine;AmbkkkkK140;tert-butyl (4-methyl-2-pyridyl)carbamate;tert-butyl 4-methylpyridin-2-ylcarbamate;tert-Butyl N-(4-methyl-pyridin-2-yl)carbamate;2-[(tert-Butoxycarbonyl)amino]-4-methylpyridine;(4-Methylpyridin-2-yl)carbamic Acid tert-Butyl Ester;tert-Butyl (4-methylpyridin-2-yl)carbamate;tert-Butyl N-(4-methyl-2-pyridyl)carbamate;2-(BOC-Amino)-4-picoline;SABMAMDNSRZJBK-UHFFFAOYSA-N;BCP25646;2656AF;AB2749;AB42386;tert-butyl 4-methyl-2-pyridinylcarb;1,1-Dimethylethyl N-(4-methyl-2-pyridinyl)carbamate (ACI);Carbamic acid, (4-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester (9CI);2-(tert-Butoxycarbonylamino)-4-methylpyridine;tert-Butyl [4-methyl-2-pyridinyl]carbamate;tert-butyl 4-methyl-2-pyridinylcarbamate;tert-Butyl-4-methylpyridin-2-ylcarbamate;SY082559;90101-20-5;(4-Methyl-pyridin-2-yl)-carbamic acidtert-butyl ester;B5706;CARBAMIC ACID, (4-METHYL-2-PYRIDINYL)-, 1,1-DIMETHYLETHYL ESTER;AS-69596;tert-Butyl (4-methylpyridin-2-yl)carbamate, AldrichCPR;MFCD07776933;tert-butyl(4-methylpyridin-2-yl)carbamate;CS-0187655;DB-002896;N-Boc-2-amino-4-methylpyridine;AKOS015838244;Carbamic acid,N-(4-methyl-2-pyridinyl)-,1,1-dimethylethyl ester;SCHEMBL828560;4-methylpyridin-2-yl-carbamic acid tert-butyl ester;EN300-127325;DTXSID40453859;ALBB-021355;

标识符

MDL：
MFCD07776933
InChIKey：
SABMAMDNSRZJBK-UHFFFAOYSA-N
Inchi：
1S/C11H16N2O2/c1-8-5-6-12-9(7-8)13-10(14)15-11(2,3)4/h5-7H,1-4H3,(H,12,13,14)
SMILES：
O=C(NC1C=C(C)C=CN=1)OC(C)(C)C

N-(4-甲基-2-吡啶基)-氨基甲酸-1,1-二甲基乙酯(90101-20-5)物化性质

实验特性

  • LogP : 2.81000
  • PSA : 51.22000
  • 折射率 : 1.541
  • 沸点 : 274.2°Cat760mmHg
  • 熔点 : 115.0 to 120.0 deg-C
  • 蒸气压 : 0.0±0.6 mmHg at 25°C
  • 闪点 : 119.6°C
  • 密度 : 1.108

计算特性

  • 精确分子量 : 208.12100
  • 氢键供体数量 : 1
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 3
  • 同位素质量 : 208.121177757g/mol
  • 重原子数量 : 15
  • 复杂度 : 223
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 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） : 2.1
  • 拓扑分子极性表面积 : 51.2

N-(4-甲基-2-吡啶基)-氨基甲酸-1,1-二甲基乙酯(90101-20-5)海关数据

海关编码：
2933399090
海关数据：

中国海关编码：

2933399090

概述：

2933399090. 其他结构含非稠合吡啶环的化合物. 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:20.0%

申报要素：

品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期

Summary：

2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

N-(4-甲基-2-吡啶基)-氨基甲酸-1,1-二甲基乙酯(90101-20-5)推荐厂家 更多厂家(17)

公司名称手机号/电话联系人QQ微信询单
上海源叶生物科技有限公司 15026964105
15026964105		汤思磊 2881489226
询单
山东玖玥生物科技有限公司 15553333686张文杰 643971
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
上海一基实业有限公司 13311756052
021-60526763 13311756052 13311756131		胡经理 2355265332
询单
上海腾准生物科技有限公司 19821570922
021-34053661		张经理 3003871136
询单
南通众合化工新材料有限公司 18762756250
0513-55074056		胡经理 2369399482
询单
上海瀚思化工有限公司 18939883912
021-34536277		顾经理 3003949364
询单
赫澎（上海）生物科技有限公司 13122891558
186-16545970		张硕 3418426269
询单
金锦乐（湖南）化学有限公司 金锦乐 1226360695
询单

N-(4-甲基-2-吡啶基)-氨基甲酸-1,1-二甲基乙酯(90101-20-5)合成路线

合成路线：1 步
24424-99-5
695-34-1
92%
90101-20-5
反应条件：
参考文献：
Zinc chloride-promoted efficient and facile BOC protection of amines
Arifuddin, M.; Lakshmikant, N.; Rajasekar, N.; Shinde, D. B., Indian Journal of Chemistry, 2012, (8), 1168-1172
合成路线：1 步
24424-99-5
695-34-1
88%
90101-20-5
反应条件：
参考文献：
Synthesis and pharmacological evaluation of 6-aminonicotinic acid analogues as novel GABAA receptor agonists
Petersen, Jette G.; Soerensen, Troels; Damgaard, Maria; Nielsen, Birgitte; Jensen, Anders A.; et al, European Journal of Medicinal Chemistry, 2014, 84, 404-416
合成路线：1 步
24424-99-5
695-34-1
85%
90101-20-5
反应条件：
参考文献：
Polycyclic aryl and substituted heteroaryl pyrazinone useful for selective inhibition of coagulation cascade
, Colombia, , ,
合成路线：1 步
24424-99-5
695-34-1
84%
90101-20-5
反应条件：
参考文献：
Towards the improvement of the synthesis of novel 4(5)-aryl-5(4)-heteroaryl-2-thio-substituted imidazoles and their p38 MAP kinase inhibitory activity
Laufer, Stefan; Koch, Pierre, Organic & Biomolecular Chemistry, 2008, 6(3), 437-439
合成路线：1 步
24424-99-5
695-34-1
77%
90101-20-5
反应条件：
参考文献：
Potent human glutaminyl cyclase inhibitors as potential anti-Alzheimer's agents: Structure-activity relationship study of Arg-mimetic region
Ngo, Van T. H.; Hoang, Van-Hai; Tran, Phuong-Thao ; Ann, Jihyae; Cui, Minghua; et al, Bioorganic & Medicinal Chemistry, 2018, 26(5), 1035-1049
合成路线：1 步
24424-99-5
695-34-1
77%
90101-20-5
反应条件：
参考文献：
Discovery of Potent Human Glutaminyl Cyclase Inhibitors as Anti-Alzheimer's Agents Based on Rational Design
Hoang, Van-Hai; Tran, Phuong-Thao; Cui, Minghua; Ngo, Van T. H.; Ann, Jihyae; et al, Journal of Medicinal Chemistry, 2017, 60(6), 2573-2590
合成路线：1 步
905416-90-2
75-65-0
48%
90101-20-5
反应条件：
参考文献：
Catalyst-free synthesis of substituted pyridin-2-yl, quinolin-2-yl, and isoquinolin-1-yl carbamates from the corresponding hetaryl ureas and alcohols
Kasatkina, Svetlana O.; Geyl, Kirill K.; Baykov, Sergey V.; Boyarskaya, Irina A.; Boyarskiy, Vadim P., Organic & Biomolecular Chemistry, 2021, 19(27), 6059-6065
合成路线：1 步
24424-99-5
695-34-1
38%
90101-20-5
反应条件：
参考文献：
Design, synthesis, and evaluation of hinge-binder tethered 1,2,3-triazolylsalicylamide derivatives as Aurora kinase inhibitors
Jeong, Yunkyung; Lee, Jooyeon; Ryu, Jae-Sang, Bioorganic & Medicinal Chemistry, 2016, 24(9), 2114-2124

N-(4-甲基-2-吡啶基)-氨基甲酸-1,1-二甲基乙酯(90101-20-5)参考资料

Reaxys RN：
7529139
PubChem CID：
11063648

N-(4-甲基-2-吡啶基)-氨基甲酸-1,1-二甲基乙酯(90101-20-5) MSDS

基础信息

  Material Safety Data Sheet
Section 1. Identi?cation of the substance
    Product Name:      2-(BOC-Amino)-4-picoline    
    Synonyms:        (4-Methyl-pyridin-2-yl)-carbamic acid tert-butyl ester    
Section 2. Hazards identi?cation
    Harmful by inhalation, in contact with skin, and if swallowed.
    H301:        Toxic if swallowed    
    H315:        Causes skin irritation    
    H319:        Causes serious eye irritation    
    H335:        May cause respiratory irritation    
    Avoid breathing dust/fume/gas/mist/vapours/spray
    P261:
    P280:        Wear protective gloves/protective clothing/eye protection/face protection    
    P301+P310:        IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician    
    P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
    and easy to do – continue rinsing
    P405:        Store locked up    
Section 3. Composition/information on ingredients.
    Ingredient name:        2-(BOC-Amino)-4-picoline    
    CAS number:        90101-20-5    
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.
    Storage:        Store in closed vessels, refrigerated.    
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    
    Melting point:        No data    
    Flash point:        No data    
    Density:        No data    
    Molecular formula:        C11H16N2O2    
    Molecular weight:        208.3    
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

目录

1.基本信息 2.名称与标识符 2.1.名称 2.2.标识符 3.物化性质 3.1.实验特性 3.2.计算特性 4.安全信息 5.海关数据 6.推荐厂家 7.合成路线 8.上下游 9.参考资料 10.N-(4-甲基-2-吡啶基)-氨基甲酸-1,1-二甲基乙酯 MSDS
相关化合物
1196145-93-3(tert-butyl N-(4-ethynylpyridin-2-yl)carbamate) 852617-12-0(N,N'-di-tert-butoxycarbonyl-2,6-diaminopyridine) 322690-31-3(叔丁基6-氨基吡啶-2-元朗氨基甲酸酯) 138343-75-6(2-(BOC-氨基)-3-甲基吡啶) 796966-15-9(（1R,4R）-2,5-二苯基二环[2.2.2]辛-2,5-二烯) 80312-69-2(Boc-Ser-NH2) 80385-33-7(3-PHENOXY-1-PIPERAZIN-1-YL-PROPAN-1-ONE X HCL) 80365-01-1((2-ethoxy-3-methoxybenzyl)amine(SALTDATA: HCl))
结构相似化合物
相关产品
N-(4-甲基-2-吡啶基)-氨基甲酸-1,1-二甲基乙酯
相关产品厂家
N-(4-甲基-2-吡啶基)-氨基甲酸-1,1-二甲基乙酯厂家
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