85642-13-3 (Boc-L-丙氨酰胺,BOC-ALA-NH2)

快速询单

结构式：

Boc-L-丙氨酰胺MOL文件

CAS号：

85642-13-3

中文名称：

Boc-L-丙氨酰胺

英文名称：

BOC-ALA-NH2

分子式：

C₈H₁₆N₂O₃

分子量：

188.224242210388

Boc-L-丙氨酰胺(85642-13-3)名称与标识符

名称

中文别名：

Boc-L-丙氨酰胺;N-叔丁氧羰基-L-丙氨酰胺;Boc-丙氨酰胺;N-Boc-L-丙酸胺;

英文别名：

Boc-L-alanine amide;Boc-Ala-NH2;N-tert-Butoxycarbonyl-L-alanine amide;Boc-Beta-ala-NH2;N-Boc-L-alaninamide;tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate;2-(tert-butoxycarbonylamino)propionamide;AmbotzBAA5310;BocNH-Ala-NH2;N-(tert-butoxycarbonyl)lalanine amide;N-(tert-butoxycarbonyl)-S-alaninamide;NH2-Ala-NHBoc;1,1-Dimethylethyl N-[(1S)-2-amino-1-methyl-2-oxoethyl]carbamate (ACI);Carbamic acid, (2-amino-1-methyl-2-oxoethyl)-, 1,1-dimethylethyl ester, (S)- (ZCI);Carbamic acid, [(1S)-2-amino-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester (9CI);((S)-1-Carbamoylethyl)carbamic acid tert-butyl ester;Boc-L-alaninamide;N-(tert-Butoxycarbonyl)alaninamide;tert-Butyl ((1S)-2-amino-1-methyl-2-oxoethyl)carbamate;tert-Butyl ((S)-1-amino-1-oxopropan-2-yl)carbamate;tert-Butyl N-((1S)-2-amino-1-methyl-2-oxoethyl)carbamate;tert-Butyl N-[(1S)-2-amino-1-methyl-2-oxo-ethyl]carbamate;85642-13-3;tert-Butyl[(1S)-2-amino-1-methyl-2-oxoethyl]carbamate;(S)-tert-Butyl (1-amino-1-oxopropan-2-yl)carbamate;SCHEMBL1888284;(S)-Boc-alaninamide;tert-butyl N-[(1S)-1-carbamoylethyl]carbamate;N-(tert-Butoxycarbonyl)alaninamide; tert-Butyl ((S)-1-amino-1-oxopropan-2-yl)carbamate 98%;I10616;MFCD03701447;DS-13418;DTXSID40426725;tert-butyl(1S)-2-amino-1-methyl-2-oxoethylcarbamate;CS-0008349;N-t-Butyloxycarbonyl-L-alanine amide;GZKKSKKIABUUCX-YFKPBYRVSA-N;Carbamic acid, [(1S)-2-amino-1-methyl-2-oxoethyl]-, 1,1-dimethylethylester;tert-butyl (1S)-2-amino-1-methyl-2-oxoethylcarbamate;AKOS016842884;(S)-tert-butyl 1-amino-1-oxopropan-2-ylcarbamate;EN300-133933;tert-Butyl [(1S)-2-amino-1-methyl-2-oxoethyl]carbamate;((S)-1-carbamoyl-ethyl)carbamic acid tert-butyl ester;

标识符

MDL：

MFCD03701447

InChIKey：

GZKKSKKIABUUCX-YFKPBYRVSA-N

Inchi：

1S/C8H16N2O3/c1-5(6(9)11)10-7(12)13-8(2,3)4/h5H,1-4H3,(H2,9,11)(H,10,12)/t5-/m0/s1

SMILES：

N([C@@H](C)C(=O)N)C(=O)OC(C)(C)C

Boc-L-丙氨酰胺(85642-13-3)物化性质

实验特性

LogP : 1.47610
PSA : 81.42000
折射率 : 1.463
水溶性 : Soluble in water or 1% acetic acid.
沸点 : 343.1 °C at 760 mmHg
闪点 : 161.3 °C
颜色与性状 : NA
密度 : 1.081

计算特性

精确分子量 : 188.11600
氢键供体数量 : 2
氢键受体数量 : 5
可旋转化学键数量 : 5
同位素质量 : 188.11609238g/mol
重原子数量 : 13
复杂度 : 208
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） : -0.1
拓扑分子极性表面积 : 81.4Å²

Boc-L-丙氨酰胺(85642-13-3)安全信息

Boc-L-丙氨酰胺(85642-13-3)国际标准相关数据

EINECS：

Boc-L-丙氨酰胺(85642-13-3)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%

Boc-L-丙氨酰胺(85642-13-3)推荐厂家更多厂家(23)

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
赫澎（上海）生物科技有限公司	13122891558 186-16545970	张硕	3418426269	询单
赫澎（上海）生物科技有限公司	13122891558 186-16545970	张硕	3418426269	询单
深圳市瑞吉特生物科技有限公司	15813841136 0755-89459231	钦先生	1029374309	询单
上海腾准生物科技有限公司	19821570922 021-34053661	张经理	3003871136	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
北京百灵威科技有限公司	18210857532	翟先生	3650742139	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单
上海绩祥生物科技有限公司	13093077543	陆经理	3985448220	询单
金锦乐（湖南）化学有限公司		金锦乐	1226360695	询单

Boc-L-丙氨酰胺(85642-13-3)合成路线

合成路线：1 步

28875-17-4

_100%

85642-13-3

反应条件：

1.1 Reagents: Ammonium hydroxide Solvents: Methanol , Water ; overnight, rt

参考文献：

Design, synthesis and anticancer mechanistic studies of linked azoles

Islam, Amirul Md.; et al, MedChemComm, 2015, 6(2), 300-305

合成路线：1 步

28875-17-4

_100%

85642-13-3

反应条件：

1.1 Reagents: Ammonium hydroxide Solvents: Methanol , Water ; overnight, rt

参考文献：

Synthesis, structure-activity analysis, and biological evaluation of sanguinamide B analogues

Wahyudi, Hendra; et al, Journal of Organic Chemistry, 2012, 77(23), 10596-10616

合成路线：1 步

15761-38-3

_98%

85642-13-3

反应条件：

1.1 Reagents: Triethylamine , Ethyl chloroformate Solvents: Tetrahydrofuran ; -15 °C; 25 min, -15 °C
1.2 Reagents: Ammonia Solvents: Water ; 3 h, 0 °C
1.3 Reagents: Potassium bisulfate Solvents: Water ; pH 2 - 3

参考文献：

Design, synthesis and cytotoxic evaluation of a library of oxadiazole-containing hybrids

Camacho, Cristian M.; et al, RSC Advances, 2021, 11(47), 29741-29751

合成路线：1 步

15761-38-3

_96%

85642-13-3

反应条件：

1.1 Reagents: 4-Methylmorpholine , Ethyl chloroformate Solvents: Tetrahydrofuran ; 20 min, -10 °C
1.2 Reagents: Ammonia Solvents: Water ; 4 h

参考文献：

Synthesis of Boc-amino tetrazoles derived from α-amino acids

Sureshbabu, Vommina V.; et al, Synthetic Communications, 2009, 39(3), 395-406

合成路线：1 步

15761-38-3

_92%

85642-13-3

反应条件：

1.1 Reagents: Pyridine , Ammonium carbonate , Di-tert-butyl dicarbonate Solvents: 1,4-Dioxane ; 6 h, rt

参考文献：

Synthesis of N-[2-(1H-indol-3-yl)ethyl]-2-acetylthiazole-4-caboxamide and its analogues

Li, Duo; et al, Youji Huaxue, 2010, 30(2), 238-243

合成路线：1 步

2483-49-0

_96%

85642-13-3

反应条件：

1.1 Reagents: Ammonia Solvents: Acetonitrile ; 4 - 5 h

参考文献：

A simple synthesis of imide-dipeptides

Ke, Damei; et al, Synlett, 2009, (9), 1506-1510

合成路线：1 步

33208-99-0

24424-99-5

_73%

85642-13-3

反应条件：

1.1 Reagents: Triethylamine Solvents: Tetrahydrofuran , Water ; 16 h, rt
1.2 Reagents: Hydrochloric acid Solvents: Water ; pH 2

参考文献：

Total synthesis of the cyclic dodecapeptides Wewakazole and Wewakazole B

Inman, Martyn; et al, Organic Letters, 2017, 19(13), 3454-3457

合成路线：1 步

33208-99-0

24424-99-5

_73%

85642-13-3

反应条件：

1.1 Reagents: Triethylamine Solvents: Tetrahydrofuran , Water ; 16 h, rt
1.2 Reagents: Hydrochloric acid Solvents: Water ; pH 2

参考文献：

Total synthesis of the post-translationally modified polyazole peptide antibiotic Goadsporin

Dexter, Hannah L.; et al, Angewandte Chemie, 2017, 56(11), 3069-3073

合成路线：2 步

24424-99-5

56-41-7

85642-13-3

反应条件：

1.1 Reagents: Triethylamine Solvents: 1,4-Dioxane , Water ; 16 - 18 h, rt
2.1 Reagents: Ethyl chloroformate Solvents: Dichloromethane ; -10 °C
2.2 Reagents: Ammonia Solvents: Dichloromethane

参考文献：

Synthesis of O-Me Ulongamide B and O-Me Ulongamide C, natural modified cyclodepsipeptides

Alvarado, Cuauhtemoc; et al, Synthetic Communications, 2013, 43(7), 993-1006

合成路线：1 步

596120-57-9

85642-13-3

反应条件：

1.1 Solvents: Ethanol ; 75 min, rt

参考文献：

New photoreactive cleavable reagents with trifluoromethyldiazirine group

McHedlidze, M. T.; et al, Russian Journal of Bioorganic Chemistry (Translation of Bioorganicheskaya Khimiya), 2003, 29(2), 177-184

合成路线：2 步

15761-38-3

100-02-7

85642-13-3

反应条件：

1.1 Reagents: Dicyclohexylcarbodiimide Solvents: Dichloromethane ; overnight, rt
2.1 Reagents: Ammonia Solvents: Acetonitrile ; 4 - 5 h

参考文献：

A simple synthesis of imide-dipeptides

Ke, Damei; et al, Synlett, 2009, (9), 1506-1510

合成路线：2 步

18107-18-1

15761-38-3

85642-13-3

反应条件：

1.1 Solvents: Diethyl ether , Methanol , Benzene ; rt; 1 h, rt
2.1 Reagents: Ammonium hydroxide Solvents: Methanol , Water ; overnight, rt

参考文献：

Design, synthesis and anticancer mechanistic studies of linked azoles

Islam, Amirul Md.; et al, MedChemComm, 2015, 6(2), 300-305

合成路线：2 步

18107-18-1

15761-38-3

85642-13-3

反应条件：

1.1 Solvents: Methanol , Benzene , Hexane ; rt; 30 min, rt
2.1 Reagents: Ammonium hydroxide Solvents: Methanol , Water ; overnight, rt

参考文献：

Mechanistic Studies of Sanguinamide B Derivatives: A Unique Inhibitor of Eukaryotic Ribosomes

Tantisantisom, Worawan; et al, Organic Letters, 2013, 15(18), 4638-4641

合成路线：2 步

18107-18-1

15761-38-3

85642-13-3

反应条件：

1.1 Solvents: Methanol , Benzene ; 30 min, rt
2.1 Reagents: Ammonium hydroxide Solvents: Methanol , Water ; overnight, rt

参考文献：

Synthesis, structure-activity analysis, and biological evaluation of sanguinamide B analogues

Wahyudi, Hendra; et al, Journal of Organic Chemistry, 2012, 77(23), 10596-10616

合成路线：2 步

15761-38-3

596120-52-4

85642-13-3

反应条件：

1.1 Reagents: 1-Hydroxybenzotriazole Solvents: Dichloromethane ; rt → 0 °C
1.2 Reagents: Dicyclohexylcarbodiimide ; 1 h, 0 °C
1.3 Reagents: Diisopropylethylamine Solvents: Dichloromethane ; 1 d, 0 °C
2.1 Solvents: Ethanol ; 75 min, rt

参考文献：

New photoreactive cleavable reagents with trifluoromethyldiazirine group

McHedlidze, M. T.; et al, Russian Journal of Bioorganic Chemistry (Translation of Bioorganicheskaya Khimiya), 2003, 29(2), 177-184

合成路线：2 步

15761-38-3

74-88-4

85642-13-3

反应条件：

1.1 Reagents: Sodium carbonate Solvents: Dimethylformamide ; rt; 24 h, rt
2.1 Reagents: Ammonium hydroxide Solvents: Tetrahydrofuran ; 24 h, rt

参考文献：

Parallel Synthesis of An Oligomeric Imidazole-4,5-dicarboxamide Library

Xu, Zhigang; et al, Journal of Combinatorial Chemistry, 2010, 12(2), 248-254

合成路线：3 步

596120-55-7

85642-13-3

反应条件：

1.1 Reagents: Sulfur dioxide Solvents: Water ; 1.5 h, rt
1.2 Reagents: Hydrochloric acid Solvents: Water ; 15 min, rt
2.1 Reagents: 1-Hydroxybenzotriazole Solvents: Dichloromethane ; rt → 0 °C
2.2 Reagents: Dicyclohexylcarbodiimide ; 1 h, 0 °C
2.3 Reagents: Diisopropylethylamine Solvents: Dichloromethane ; 1 d, 0 °C
3.1 Solvents: Ethanol ; 75 min, rt

参考文献：

New photoreactive cleavable reagents with trifluoromethyldiazirine group

McHedlidze, M. T.; et al, Russian Journal of Bioorganic Chemistry (Translation of Bioorganicheskaya Khimiya), 2003, 29(2), 177-184

合成路线：4 步

596120-51-3

100-97-0

85642-13-3

反应条件：

1.1 Solvents: Chloroform ; 2 d, rt
2.1 Reagents: Hydrochloric acid Solvents: Methanol , Water ; 3 d, rt
3.1 Reagents: 1-Hydroxybenzotriazole Solvents: Dichloromethane ; rt → 0 °C
3.2 Reagents: Dicyclohexylcarbodiimide ; 1 h, 0 °C
3.3 Reagents: Diisopropylethylamine Solvents: Dichloromethane ; 1 d, 0 °C
4.1 Solvents: Ethanol ; 75 min, rt

参考文献：

New photoreactive cleavable reagents with trifluoromethyldiazirine group

McHedlidze, M. T.; et al, Russian Journal of Bioorganic Chemistry (Translation of Bioorganicheskaya Khimiya), 2003, 29(2), 177-184

合成路线：5 步

92367-11-8

85642-13-3

反应条件：

1.1 Reagents: Nitric oxide Solvents: Water ; -10 °C
2.1 Solvents: Chloroform ; 2 d, rt
3.1 Reagents: Hydrochloric acid Solvents: Methanol , Water ; 3 d, rt
4.1 Reagents: 1-Hydroxybenzotriazole Solvents: Dichloromethane ; rt → 0 °C
4.2 Reagents: Dicyclohexylcarbodiimide ; 1 h, 0 °C
4.3 Reagents: Diisopropylethylamine Solvents: Dichloromethane ; 1 d, 0 °C
5.1 Solvents: Ethanol ; 75 min, rt

参考文献：

New photoreactive cleavable reagents with trifluoromethyldiazirine group

McHedlidze, M. T.; et al, Russian Journal of Bioorganic Chemistry (Translation of Bioorganicheskaya Khimiya), 2003, 29(2), 177-184

合成路线：6 步

87736-85-4

85642-13-3

反应条件：

1.1 Reagents: N-Bromosuccinimide
2.1 Reagents: Nitric oxide Solvents: Water ; -10 °C
3.1 Solvents: Chloroform ; 2 d, rt
4.1 Reagents: Hydrochloric acid Solvents: Methanol , Water ; 3 d, rt
5.1 Reagents: 1-Hydroxybenzotriazole Solvents: Dichloromethane ; rt → 0 °C
5.2 Reagents: Dicyclohexylcarbodiimide ; 1 h, 0 °C
5.3 Reagents: Diisopropylethylamine Solvents: Dichloromethane ; 1 d, 0 °C
6.1 Solvents: Ethanol ; 75 min, rt

参考文献：

New photoreactive cleavable reagents with trifluoromethyldiazirine group

McHedlidze, M. T.; et al, Russian Journal of Bioorganic Chemistry (Translation of Bioorganicheskaya Khimiya), 2003, 29(2), 177-184

合成路线：1 步

_67%

反应条件：

1.1 Solvents: 1,4-Dioxane , Water ; 2 d, rt
1.2 Reagents: Sodium chloride Solvents: Ethyl acetate , Water ; rt

参考文献：

Solid-phase total synthesis of Yaku'amide B enabled by traceless Staudinger ligation

Itoh, Hiroaki ; et al, Angewandte Chemie, 2020, 59(11), 4564-4571

合成路线：1 步

_46%

反应条件：

1.1 Solvents: Tetrahydrofuran , Water ; 2 d, rt
1.2 Reagents: Sodium chloride Solvents: Water ; rt

参考文献：

Solid-phase total synthesis of Yaku'amide B enabled by traceless Staudinger ligation

Itoh, Hiroaki ; et al, Angewandte Chemie, 2020, 59(11), 4564-4571

合成路线：2 步

反应条件：

1.1 Reagents: Triethylamine , PyBOP Solvents: Dimethylformamide ; 0 °C; 17 h, rt
1.2 Reagents: Sodium bicarbonate Solvents: Water ; rt
2.1 Solvents: Tetrahydrofuran , Water ; 2 d, rt
2.2 Reagents: Sodium chloride Solvents: Water ; rt

参考文献：

Solid-phase total synthesis of Yaku'amide B enabled by traceless Staudinger ligation

Itoh, Hiroaki ; et al, Angewandte Chemie, 2020, 59(11), 4564-4571