N-[(S)-1-Carbethoxybutyl]-(S)-alanine Benzyl Ester

Base Information Edit

Chemical Name:N-[(S)-1-Carbethoxybutyl]-(S)-alanine Benzyl Ester
CAS No.:112243-70-6
Molecular Formula:C₁₇H₂₅NO₄
Molecular Weight:307.39
Hs Code.:
European Community (EC) Number:601-174-6
DSSTox Substance ID:DTXSID401154400
Mol file:112243-70-6.mol

Synonyms:112243-70-6;Ethyl (S)-2-(((S)-1-(benzyloxy)-1-oxopropan-2-yl)amino)pentanoate;starbld0006319;N-[(S)-1-Carbethoxybutyl]-(S)-alanine Benzyl Ester;SCHEMBL4395799;IRRWRQHUODGTBM-ZFWWWQNUSA-N;DTXSID401154400;N-[1-(S)-ethoxycarbonyl-1-butyl]-(S)-alanine benzyl ester;N-[(1S)-1-Methyl-2-oxo-2-(phenylmethoxy)ethyl]-L-norvaline ethyl ester

Suppliers and Price of N-[(S)-1-Carbethoxybutyl]-(S)-alanine Benzyl Ester

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of N-[(S)-1-Carbethoxybutyl]-(S)-alanine Benzyl Ester Edit

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Storage Temp.:Refrigerator
Solubility.:Dichloromethane; Ethyl Acetate; Methanol;
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:11
Exact Mass:307.17835828
Heavy Atom Count:22
Complexity:340

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCC(C(=O)OCC)NC(C)C(=O)OCC1=CC=CC=C1
Isomeric SMILES:CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)OCC1=CC=CC=C1
Uses N-[(S)-1-Carbethoxybutyl]-(S)-alanine Benzyl Ester is an intermediate for the synthesis of N-[(R)-1-Carbethoxybutyl]-(S)-alanine (C178000),which is an intermediate in the synthesis of Perindoprilat (P287530), an angiotensin-converting enzyme (ACE) inhibitor. Antihypertensive.

Technology Process of N-[(S)-1-Carbethoxybutyl]-(S)-alanine Benzyl Ester

There total 2 articles about N-[(S)-1-Carbethoxybutyl]-(S)-alanine Benzyl Ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 41.0%

: 17831-01-5
H-Ala-OBzl

: 109684-05-1
ethyl 2-([(trifluoromethyl)sulphonyl]oxy)pentanoate

: 112243-70-6
N-<1(S)-(ethoxycarbonyl)butyl>-L-alanine benzyl ester

: 112243-71-7
N-<1(R)-(ethoxycarbonyl)butyl>-L-alanine benzyl ester

Guidance literature:: With triethylamine; In dichloromethane; 1.) RT, 16 h, 2.) reflux, 1 h;
DOI:10.1021/jm00105a066

Reference yield:

: 39256-85-4
ethyl 2-amino-L-butyrate

: (R)-2-bromopropionic acid benzyl ester

: 112243-70-6
N-<1(S)-(ethoxycarbonyl)butyl>-L-alanine benzyl ester

Guidance literature:: ethyl 2-amino-L-butyrate; (R)-2-bromopropionic acid benzyl ester; With triethylamine; In acetonitrile; for 7 - 8h; Heating / reflux;

With hydrogenchloride; In di-isopropyl ether; water;

With sodium carbonate; In water; Product distribution / selectivity;