L-Histidine, N-(3-phenyl-N-L-prolyl-L-alanyl)-, methyl ester

Base Information

Chemical Name:L-Histidine, N-(3-phenyl-N-L-prolyl-L-alanyl)-, methyl ester
CAS No.:75350-57-1
Molecular Formula:C21H27N5O4
Molecular Weight:413.476
Hs Code.:
DSSTox Substance ID:DTXSID801185665

Synonyms:DTXSID801185665;L-Histidine, N-(3-phenyl-N-L-prolyl-L-alanyl)-, methyl ester;75350-57-1

Suppliers and Price of L-Histidine, N-(3-phenyl-N-L-prolyl-L-alanyl)-, methyl ester

Supply Marketing:

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

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Chemical Property of L-Histidine, N-(3-phenyl-N-L-prolyl-L-alanyl)-, methyl ester

Chemical Property:

XLogP3:1.1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:10
Exact Mass:413.20630436
Heavy Atom Count:30
Complexity:596

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)C(CC1=CN=CN1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3CCCN3
Isomeric SMILES:COC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]3CCCN3

Technology Process of L-Histidine, N-(3-phenyl-N-L-prolyl-L-alanyl)-, methyl ester

There total 6 articles about L-Histidine, N-(3-phenyl-N-L-prolyl-L-alanyl)-, 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: 61.0%

: (S)-tert-butyl 2-(((S)-1-(((S)-3-(1H-imidazole-4-yl)-1-methoxy-1-oxopropane-2-yl)amino)-1-oxo-3-phenylpropane-2-yl)carbamoyl)pyrrolidine-1-carboxylate

: 75350-57-1
(S)-methyl 3-(1H-imidazole-4-yl)-2-((S)-3-phenyl-2-((S)-pyrrolidine-2-carboxamido)propanamido)propanoate

Guidance literature:: With trifluoroacetic acid; In dichloromethane; at 0 - 20 ℃; for 3h;
DOI:10.2174/1570178617999200517131733

Reference yield:

: Z-Pro-Phe-His-OMe

: 75350-57-1
(S)-methyl 3-(1H-imidazole-4-yl)-2-((S)-3-phenyl-2-((S)-pyrrolidine-2-carboxamido)propanamido)propanoate

Guidance literature:: With hydrogen; palladium on activated charcoal; In methanol; water; under 827.4 Torr;
DOI:10.1021/jm00127a041

Reference yield:

: 52071-65-5
N-tert-butyloxycarbonyl-L-prolyl-L-phenylalanine

: 75350-57-1
(S)-methyl 3-(1H-imidazole-4-yl)-2-((S)-3-phenyl-2-((S)-pyrrolidine-2-carboxamido)propanamido)propanoate

Guidance literature:: Multi-step reaction with 2 steps

1.1: benzotriazol-1-ol / tetrahydrofuran / 0.17 h / 0 °C / Inert atmosphere

1.2: 1 h / 0 °C / Inert atmosphere

1.3: 24 h / 0 - 20 °C / Inert atmosphere

2.1: trifluoroacetic acid / dichloromethane / 3 h / 0 - 20 °C

With benzotriazol-1-ol; trifluoroacetic acid; In tetrahydrofuran; dichloromethane;
DOI:10.2174/1570178617999200517131733