(S)-2-(((Benzyloxy)carbonyl)amino)-3-(4-chlorophenyl)propanoic acid

Base Information

Chemical Name:(S)-2-(((Benzyloxy)carbonyl)amino)-3-(4-chlorophenyl)propanoic acid
CAS No.:127888-10-2
Molecular Formula:C17H16 Cl N O4
Molecular Weight:333.771
Hs Code.:2924299090
DSSTox Substance ID:DTXSID80388772
Nikkaji Number:J1.666.237B
Wikidata:Q76149265
Mol file:127888-10-2.mol

Synonyms:127888-10-2;(S)-2-(((Benzyloxy)carbonyl)amino)-3-(4-chlorophenyl)propanoic acid;Cbz-4-Chloro-L-Phenylalanine;(2S)-3-(4-chlorophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid;(2S)-2-{[(benzyloxy)carbonyl]amino}-3-(4-chlorophenyl)propanoic acid;N-[(Benzyloxy)carbonyl]-4-chloro-L-phenylalanine;L-Phenylalanine, 4-chloro-N-[(phenylmethoxy)carbonyl]-;Z-Phe(4-Cl)-OH;Oprea1_803576;N-CBZ p-chloro phenylalanine;SCHEMBL2969722;DTXSID80388772;LEWUPPXPENCAKM-HNNXBMFYSA-N;(S)-2-(((Benzyloxy)carbonyl)amino)-3-(4-chlorophenyl)propanoicacid;LS-194328;CS-0299710;N-(Benzyloxycarbonyl)-4-chloro-L-phenylalanine;EN300-6747823

Suppliers and Price of (S)-2-(((Benzyloxy)carbonyl)amino)-3-(4-chlorophenyl)propanoic acid

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
Packaging
price

Crysdot
(S)-2-(((Benzyloxy)carbonyl)amino)-3-(4-chlorophenyl)propanoicacid 95+%
5g
$ 707.00

Chemenu
(S)-2-(((Benzyloxy)carbonyl)amino)-3-(4-chlorophenyl)propanoicacid 95%
5g
$ 668.00

American Custom Chemicals Corporation
(2S)-2-([(BENZYLOXY)CARBONYL]AMINO)-3-(4-CHLOROPHENYL)PROPANOIC ACID 95.00%
5MG
$ 495.01

Alichem
(S)-2-(((Benzyloxy)carbonyl)amino)-3-(4-chlorophenyl)propanoicacid
1g
$ 400.00

Total 15 raw suppliers

Chemical Property of (S)-2-(((Benzyloxy)carbonyl)amino)-3-(4-chlorophenyl)propanoic acid

Chemical Property:

PSA：75.63000
LogP:3.65300
Storage Temp.:2-8°C
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:333.0767857
Heavy Atom Count:23
Complexity:390

Purity/Quality:

99% ^*data from raw suppliers

(S)-2-(((Benzyloxy)carbonyl)amino)-3-(4-chlorophenyl)propanoicacid 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)COC(=O)NC(CC2=CC=C(C=C2)Cl)C(=O)O
Isomeric SMILES:C1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CC=C(C=C2)Cl)C(=O)O

Technology Process of (S)-2-(((Benzyloxy)carbonyl)amino)-3-(4-chlorophenyl)propanoic acid

There total 8 articles about (S)-2-(((Benzyloxy)carbonyl)amino)-3-(4-chlorophenyl)propanoic acid 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: 43.0%

: 394210-37-8
4-(4-chloro-benzyl)-2,5-dioxo-oxazolidine-3-carboxylic acid benzyl ester

: 127888-10-2
(S)-(N-benzyloxycarbonyl)-p-chlorophenylalanine

Guidance literature:: 4-(4-chloro-benzyl)-2,5-dioxo-oxazolidine-3-carboxylic acid benzyl ester; With methanol; 4 A molecular sieve; In diethyl ether; at -60 ℃; for 18h;

With water; Further stages.;
DOI:10.1021/ja011936q

Reference yield:

: 7424-00-2,1991-78-2
DL-Phe(4Cl)

: 127888-10-2
(S)-(N-benzyloxycarbonyl)-p-chlorophenylalanine

Guidance literature:: Multi-step reaction with 3 steps

1.1: tetrahydrofuran / 50 °C

2.1: NMM / tetrahydrofuran / -25 - 20 °C

3.1: 10 mol percent (DHQD)2AQN; 4 Angstroem molecular sieves; methanol / diethyl ether / 18 h / -60 °C

3.2: 43 percent / H₂O

With 4-methyl-morpholine; methanol; 4 A molecular sieve; In tetrahydrofuran; diethyl ether;
DOI:10.1021/ja011936q

Reference yield:

: 4-(4-chloro-benzyl)-oxazolidine-2,5-dione

: 127888-10-2
(S)-(N-benzyloxycarbonyl)-p-chlorophenylalanine

Guidance literature:: Multi-step reaction with 2 steps

1.1: NMM / tetrahydrofuran / -25 - 20 °C

2.1: 10 mol percent (DHQD)2AQN; 4 Angstroem molecular sieves; methanol / diethyl ether / 18 h / -60 °C

2.2: 43 percent / H₂O

With 4-methyl-morpholine; methanol; 4 A molecular sieve; In tetrahydrofuran; diethyl ether;
DOI:10.1021/ja011936q