methyl (2S)-2-[({[(benzyloxy)carbonyl]amino}acetyl)amino]-3-(1H-indol-3-yl)propanoate

Base Information

Chemical Name:methyl (2S)-2-[({[(benzyloxy)carbonyl]amino}acetyl)amino]-3-(1H-indol-3-yl)propanoate
CAS No.:53880-82-3
Molecular Formula:C22H23N3O5
Molecular Weight:409.442
Hs Code.:
NSC Number:169145
DSSTox Substance ID:DTXSID60305109
Mol file:53880-82-3.mol

Synonyms:NSC169145;DTXSID60305109;AKOS024432591;NSC-169145;methyl (2S)-2-[({[(benzyloxy)carbonyl]amino}acetyl)amino]-3-(1H-indol-3-yl)propanoate

Suppliers and Price of methyl (2S)-2-[({[(benzyloxy)carbonyl]amino}acetyl)amino]-3-(1H-indol-3-yl)propanoate

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

Sigma-Aldrich
CARBOBENZYLOXYGLYCYL-L-TRYPTOPHAN METHYL ESTER Aldrich
50mg
$ 57.00

American Custom Chemicals Corporation
CARBOBENZYLOXYGLYCYL-L-TRYPTOPHAN METHYL ESTER 95.00%
5MG
$ 501.52

Total 1 raw suppliers

Chemical Property of methyl (2S)-2-[({[(benzyloxy)carbonyl]amino}acetyl)amino]-3-(1H-indol-3-yl)propanoate

Chemical Property:

Vapor Pressure:5.37E-19mmHg at 25°C
Boiling Point:691.9°C at 760 mmHg
Flash Point:372.3°C
PSA：109.52000
Density:1.293g/cm³
LogP:3.07640
XLogP3:2.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:409.16377084
Heavy Atom Count:30
Complexity:593

Purity/Quality:: CARBOBENZYLOXYGLYCYL-L-TRYPTOPHAN METHYL ESTER Aldrich ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CNC(=O)OCC3=CC=CC=C3

Technology Process of methyl (2S)-2-[({[(benzyloxy)carbonyl]amino}acetyl)amino]-3-(1H-indol-3-yl)propanoate

There total 3 articles about methyl (2S)-2-[({[(benzyloxy)carbonyl]amino}acetyl)amino]-3-(1H-indol-3-yl)propanoate 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: 96.0%

: 1138-80-3
N-(Benzyloxycarbonyl)glycine

: 4299-70-1
L-tryptophan methyl ester

: 53880-82-3
(S)-methyl 2-(2-(((benzyloxy)carbonyl)amino)acetamido)-3-(1H-indol-3-yl)propanoate

Guidance literature:: With benzotriazol-1-ol; 1,2-dichloro-ethane; In dichloromethane; at 0 - 20 ℃; Inert atmosphere;
DOI:10.3762/bjoc.12.74

Reference yield:

: 7524-52-9,26988-71-6,5619-09-0,14907-27-8,41222-70-2,67557-19-1,109492-62-8
(S)-tryptophan methyl ester hydrochloride

: 1138-80-3
N-(Benzyloxycarbonyl)glycine

: 53880-82-3
(S)-methyl 2-(2-(((benzyloxy)carbonyl)amino)acetamido)-3-(1H-indol-3-yl)propanoate

Guidance literature:: N-(Benzyloxycarbonyl)glycine; With 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 0 ℃; for 0.166667h;

(S)-tryptophan methyl ester hydrochloride; With 4-methyl-morpholine; In N,N-dimethyl-formamide; at 0 - 20 ℃; pH=8;
DOI:10.1002/psc.2431

Reference yield:

: 7524-52-9,26988-71-6,5619-09-0,14907-27-8,41222-70-2,67557-19-1,109492-62-8
(S)-tryptophan methyl ester hydrochloride

: 53880-82-3
(S)-methyl 2-(2-(((benzyloxy)carbonyl)amino)acetamido)-3-(1H-indol-3-yl)propanoate

Guidance literature:: Multi-step reaction with 2 steps

1: potassium carbonate / water / 0.25 h / Inert atmosphere

2: 1,2-dichloro-ethane; benzotriazol-1-ol / dichloromethane / 0 - 20 °C / Inert atmosphere

With potassium carbonate; benzotriazol-1-ol; 1,2-dichloro-ethane; In dichloromethane; water;
DOI:10.3762/bjoc.12.74