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  4. N-Boc-L-亮氨酸-N’-甲氧基-N’-甲基酰胺 | 87694-50-6

87694-50-6 (N-Boc-L-亮氨酸-N’-甲氧基-N’-甲基酰胺,Boc-L-leucine N'-Methoxy-N'-methylamide)

快速询单
结构式：
N-Boc-L-亮氨酸-N’-甲氧基-N’-甲基酰胺结构式图片|87694-50-6结构式图片
N-Boc-L-亮氨酸-N’-甲氧基-N’-甲基酰胺MOL文件
CAS号：
87694-50-6
中文名称：
N-Boc-L-亮氨酸-N’-甲氧基-N’-甲基酰胺
英文名称：
Boc-L-leucine N'-Methoxy-N'-methylamide
分子式：
C13H26N2O4
分子量：
274.356544017792
相关分类：
溶剂及有机化学品 > 有机化合物 > 酸/酯类
氨基酸及其衍生物

N-Boc-L-亮氨酸-N’-甲氧基-N’-甲基酰胺(87694-50-6)名称与标识符

名称

中文别名：
(S)-(1-((甲氧基甲基)氨基)-4-甲基-1-氧代-2-戊基)氨基甲酸叔丁酯;N-(叔丁氧基羰基)-L-亮氨酸-N′-甲氧基-N′-甲酰胺;N-(叔丁氧基羰基)-L-亮氨酸N-甲氧基-N-甲基酰胺;N-Boc-L-亮氨酸-N’-甲氧基-N’-甲基酰胺;
英文别名：
(S)-tert-Butyl (1-((methoxymethyl)amino)-4-methyl-1-oxopentan-2-yl)carbamate;Boc-L-leucine N,O-dimethylhydroxamide;Boc-L-leucine N'-Methoxy-N'-methylamide;Boc-l-leu-nme(ome);Carbamic acid,N-[(1S)-1-[(methoxymethylamino)carbonyl]-3-methylbutyl]-, 1,1-dimethylethylester;tert-butyl N-[(2S)-1-(methoxymethylamino)-4-methyl-1-oxopentan-2-yl]carbamate;N-(tert-Butoxycarbonyl)-L-leucine N′-Methoxy-N′-MethylaMide;1,1-Dimethylethyl N-[(1S)-1-[(methoxymethylamino)carbonyl]-3-methylbutyl]carbamate (ACI);Carbamic acid, [(1S)-1-[(methoxymethylamino)carbonyl]-3-methylbutyl]-, 1,1-dimethylethyl ester (9CI);Carbamic acid, [1-[(methoxymethylamino)carbonyl]-3-methylbutyl]-, 1,1-dimethylethyl ester, (S)- (ZCI);(S)-N-Methyl-N-methoxy-2-(tert-butoxycarbonylamino)-4-methylpentanamide;tert-Butyl [(2S)-1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-2-yl]carbamate;tert-Butyl [(S)-1-[methoxy(methyl)amino]-4-methyl-1-oxopentan-2-yl]carbamate;

标识符

MDL：
MFCD00151875
InChIKey：
IKRXSZUARJIXLZ-JTQLQIEISA-N
Inchi：
1S/C13H26N2O4/c1-9(2)8-10(11(16)15(6)18-7)14-12(17)19-13(3,4)5/h9-10H,8H2,1-7H3,(H,14,17)/t10-/m0/s1
SMILES：
[C@H](CC(C)C)(C(=O)N(C)OC)NC(=O)OC(C)(C)C

N-Boc-L-亮氨酸-N’-甲氧基-N’-甲基酰胺(87694-50-6)物化性质

实验特性

  • LogP : 2.33650
  • PSA : 67.87000
  • 折射率 : n20/D 1.454(lit.)
  • 沸点 : 235 ℃(lit.)
  • 闪点 : 113℃(235℉)(lit.)
  • 颜色与性状 : 未确定
  • 溶解性 : 未确定
  • 密度 : 1.460(lit.)

计算特性

  • 精确分子量 : 274.18900
  • 氢键供体数量 : 1
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 9
  • 重原子数量 : 19
  • 复杂度 : 298
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 1
  • 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） : 1.9
  • 互变异构体数量 : 4
  • 表面电荷 : 0

N-Boc-L-亮氨酸-N’-甲氧基-N’-甲基酰胺(87694-50-6)安全信息

N-Boc-L-亮氨酸-N’-甲氧基-N’-甲基酰胺(87694-50-6)海关数据

海关编码：
2924199090
海关数据：

中国海关编码：

2924199090

概述：

2924199090. 其他无环酰胺（包括无环氨基甲酸酯)(包括其衍生物及盐）. 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, 包装

Summary：

2924199090. other acyclic amides (including acyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

N-Boc-L-亮氨酸-N’-甲氧基-N’-甲基酰胺(87694-50-6)推荐厂家 更多厂家(23)

公司名称手机号/电话联系人QQ微信询单
西安德而塔生物科技有限公司 18133906270
18133906270		张女士 2590956145
询单
西安德而塔生物科技有限公司 18133906270
18133906270		张女士 2590956145
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
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
上海甄准生物科技有限公司 13816009161
021-68920155		姜经理13816009161 3001086693
询单
上海腾准生物科技有限公司 19821570922
021-34053661		张经理 3003871136
询单
金锦乐（湖南）化学有限公司 金锦乐 1226360695
询单
赫澎（上海）生物科技有限公司 13122891558
186-16545970		张硕 3418426269
询单

N-Boc-L-亮氨酸-N’-甲氧基-N’-甲基酰胺(87694-50-6)合成路线

合成路线：1 步
13139-15-6
1117-97-1
100%
87694-50-6
反应条件：
参考文献：
Exploration of the carmaphycins as payloads in antibody drug conjugate anticancer agents
Almaliti, Jehad; et al, European Journal of Medicinal Chemistry, 2019, 161, 416-432
合成路线：1 步
13139-15-6
1117-97-1
99%
87694-50-6
反应条件：
参考文献：
A convenient and versatile synthesis of chiral aliphatic and allylic amines
Saari, Walfred S.; et al, Synthesis, 1990, (6), 453-4
合成路线：1 步
13139-15-6
1117-97-1
97%
87694-50-6
反应条件：
参考文献：
Vinylboronic Acids as Efficient Bioorthogonal Reactants for Tetrazine Labeling in Living Cells
Eising, Selma; et al, Bioconjugate Chemistry, 2018, 29(4), 982-986
合成路线：1 步
13139-15-6
6638-79-5
100%
87694-50-6
反应条件：
参考文献：
1,2,3-Triazoles as Amide Bond Mimics: Triazole Scan Yields Protease-Resistant Peptidomimetics for Tumor Targeting
Valverde, Ibai E.; et al, Angewandte Chemie, 2013, 52(34), 8957-8960
合成路线：1 步
13139-15-6
6638-79-5
100%
87694-50-6
反应条件：
参考文献：
Pyrrole-based scaffolds for turn mimics
Ko, Eunhwa; et al, Organic Letters, 2011, 13(5), 980-983
合成路线：1 步
63096-02-6
6638-79-5
53%
87694-50-6
反应条件：
参考文献：
Synthesis and antiproteasomal activity of novel O-benzyl salicylamide-based inhibitors built from leucine and phenylalanine
Jorda, Radek; et al, European Journal of Medicinal Chemistry, 2017, 135, 142-158
合成路线：1 步
70569-68-5
13139-15-6
87694-50-6
反应条件：
参考文献：
Synthesis of aldehydic peptides inhibiting renin
Fehrentz, Jean Alain; et al, International Journal of Peptide & Protein Research, 1985, 26(3), 236-41
合成路线：1 步
13139-15-6
87694-50-6
参考文献：
A facile approach to trans-4,5-pyrrolidine lactam and application in the synthesis of nemonapride and streptopyrrolidine
Huang, Wei; et al, Tetrahedron, 2011, 67(40), 7829-7837
合成路线：1 步
16937-99-8
6638-79-5
87694-50-6
反应条件：
参考文献：
Continuous process improvement in the manufacture of carfilzomib, part 2: An improved process for synthesis of the epoxyketone warhead
Beaver, Matthew G. ; et al, Organic Process Research & Development, 2020, 24(4), 490-499
合成路线：2 步
7517-19-3
24424-99-5
87694-50-6
反应条件：
参考文献：
Synthesis and antiproteasomal activity of novel O-benzyl salicylamide-based inhibitors built from leucine and phenylalanine
Jorda, Radek; et al, European Journal of Medicinal Chemistry, 2017, 135, 142-158

N-Boc-L-亮氨酸-N’-甲氧基-N’-甲基酰胺(87694-50-6) MSDS

基础信息

  Material Safety Data Sheet
Section 1. Identi?cation of the substance
    Product Name:      Boc-L-Leu-NMe(OMe)    
    Synonyms:        Boc-L-leucine N,O-dimethylhydroxamide    
Section 2. Hazards identi?cation
    Harmful by inhalation, in contact with skin, and if swallowed.
Section 3. Composition/information on ingredients.
    Ingredient name:        Boc-L-Leu-NMe(OMe)    
    CAS number:        87694-50-6    
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:        C13H26N2O4    
    Molecular weight:        274.4    
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.N-Boc-L-亮氨酸-N’-甲氧基-N’-甲基酰胺 MSDS
相关化合物
76944-95-1(L-(-)-3-N-Boc-氨基-2-氮杂丙酮) 367268-12-0((9Ci)-[(1S)-1-(氨基羰基)丁基]-氨基甲酸,1,1-二甲基乙酯) 85574-35-2((S)-4-甲基-1-氧代-1-(丙基氨基)-2-戊基氨基甲酸叔丁酯) 35150-08-4(Boc-L-缬氨酰胺) 32991-17-6(N-{[(2-甲基-2-丙基)氧基]羰基}-L-亮氨酰甘氨酸) 80365-01-1((2-ethoxy-3-methoxybenzyl)amine(SALTDATA: HCl)) 80373-22-4(Quinpirole) 80403-94-7(Ethanone, 1-(3-chloro-5-isoxazolyl)- (9CI))
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