Methyl (3S)-3-(phenylamino)butanoate

Base Information

Chemical Name:Methyl (3S)-3-(phenylamino)butanoate
CAS No.:142826-92-4
Molecular Formula:C₁₁H₁₅NO₂
Molecular Weight:193.246
Hs Code.:
European Community (EC) Number:604-313-9
DSSTox Substance ID:DTXSID401291228
Nikkaji Number:J953.821F

Synonyms:SCHEMBL2386328;DTXSID401291228;Methyl (3S)-3-(phenylamino)butanoate;142826-92-4

Suppliers and Price of Methyl (3S)-3-(phenylamino)butanoate

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of Methyl (3S)-3-(phenylamino)butanoate

Chemical Property:

Vapor Pressure:0.00043mmHg at 25°C
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:193.110278721
Heavy Atom Count:14
Complexity:176

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(CC(=O)OC)NC1=CC=CC=C1
Isomeric SMILES:C[C@@H](CC(=O)OC)NC1=CC=CC=C1

Technology Process of Methyl (3S)-3-(phenylamino)butanoate

There total 8 articles about Methyl (3S)-3-(phenylamino)butanoate 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: 94.0%

: 3976-69-0
Methyl (R)-3-hydroxybutyrate

: 62-53-3
aniline

: 63430-94-4
methyl (R)-3-(phenylamino)butanoate

: 142826-92-4
(S)-phenylamino-butyric acid methyl ester

Guidance literature:: Methyl (R)-3-hydroxybutyrate; With trifluoromethanesulfonic acid anhydride; diisopropylamine; In dichloromethane; at -78 ℃; for 1h;

aniline; at -78 - -40 ℃; for 16h;

Reference yield: 90.0%

: 67-56-1
methanol

: 142925-36-8
(S)-(+)-N-(3-phenylaminobutyryl)benzoic acid

: 142826-92-4
(S)-phenylamino-butyric acid methyl ester

Guidance literature:: With thionyl chloride; water; at 20 ℃; for 12h;
DOI:10.1016/j.bmcl.2009.10.094

Reference yield: 88.0%

: 3976-69-0
Methyl (R)-3-hydroxybutyrate

: 105-45-3
acetoacetic acid methyl ester

: 62-53-3
aniline

: 142826-92-4
(S)-phenylamino-butyric acid methyl ester

Guidance literature:: acetoacetic acid methyl ester; With hydrogen; RuCl₂ (R)-binap; In methanol; at 80 ℃; for 66h; under 22801.5 Torr;

Methyl (R)-3-hydroxybutyrate; With trifluoromethanesulfonic acid anhydride; In pyridine; dichloromethane; at 0 ℃; for 1h;

aniline; at 25 ℃; for 16h;