N-[(Phenylmethoxy)carbonyl]-L-alanyl-L-valyl-L-alanine methyl ester

Base Information

Chemical Name:N-[(Phenylmethoxy)carbonyl]-L-alanyl-L-valyl-L-alanine methyl ester
CAS No.:6686-71-1
Molecular Formula:C20H29N3O6
Molecular Weight:407.467
Hs Code.:
DSSTox Substance ID:DTXSID101162882
Nikkaji Number:J2.476.022G

Synonyms:DTXSID101162882;N-[(Phenylmethoxy)carbonyl]-L-alanyl-L-valyl-L-alanine methyl ester;6686-71-1

Suppliers and Price of N-[(Phenylmethoxy)carbonyl]-L-alanyl-L-valyl-L-alanine methyl ester

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

Total 1 raw suppliers

Chemical Property of N-[(Phenylmethoxy)carbonyl]-L-alanyl-L-valyl-L-alanine methyl ester

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:11
Exact Mass:407.20563565
Heavy Atom Count:29
Complexity:575

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)C(C(=O)NC(C)C(=O)OC)NC(=O)C(C)NC(=O)OCC1=CC=CC=C1
Isomeric SMILES:C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)OC)NC(=O)OCC1=CC=CC=C1

Technology Process of N-[(Phenylmethoxy)carbonyl]-L-alanyl-L-valyl-L-alanine methyl ester

There total 5 articles about N-[(Phenylmethoxy)carbonyl]-L-alanyl-L-valyl-L-alanine methyl 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: 86.0%

: 10065-72-2
L-Alanine methyl ester

: 870764-59-3
benzyloxycarbonyl-alanyl-valine

: 6686-71-1
Cbz-Ala-Val-Ala-OMe

Guidance literature:: With benzotriazol-1-ol; dicyclohexyl-carbodiimide; In N,N-dimethyl-formamide; at 0 ℃; for 72h;
DOI:10.1016/j.tet.2007.05.045

Reference yield:

: 1142-20-7
N-Cbz-Ala

: 6686-71-1
Cbz-Ala-Val-Ala-OMe

Guidance literature:: Multi-step reaction with 3 steps

1: 83 percent / dicyclohexylcarbodiimide; 1-hydroxybenzotriazole / dimethylformamide / 72 h / 0 °C

2: 85 percent / aq. NaOH / methanol / 10 h

3: 86 percent / dicyclohexylcarbodiimide; 1-hydroxybenzotriazole / dimethylformamide / 72 h / 0 °C

With sodium hydroxide; benzotriazol-1-ol; dicyclohexyl-carbodiimide; In methanol; N,N-dimethyl-formamide;
DOI:10.1016/j.tet.2007.05.045

Reference yield:

: 4864-38-4
(S)-2-((S)-2-Benzyloxycarbonylamino-propionylamino)-3-methyl-butyric acid methyl ester

: 6686-71-1
Cbz-Ala-Val-Ala-OMe

Guidance literature:: Multi-step reaction with 2 steps

1: 85 percent / aq. NaOH / methanol / 10 h

2: 86 percent / dicyclohexylcarbodiimide; 1-hydroxybenzotriazole / dimethylformamide / 72 h / 0 °C

With sodium hydroxide; benzotriazol-1-ol; dicyclohexyl-carbodiimide; In methanol; N,N-dimethyl-formamide;
DOI:10.1016/j.tet.2007.05.045