Glycinamide, 1-((phenylmethoxy)carbonyl)-L-prolyl-L-leucylglycyl-L-prolyl-N-(4-(bis(2-chloroethyl)amino)phenyl)-

Base Information

Chemical Name:Glycinamide, 1-((phenylmethoxy)carbonyl)-L-prolyl-L-leucylglycyl-L-prolyl-N-(4-(bis(2-chloroethyl)amino)phenyl)-
CAS No.:68427-15-6
Molecular Formula:C38H51Cl2N7O7
Molecular Weight:788.7602
Hs Code.:
DSSTox Substance ID:DTXSID80218545
Wikidata:Q76155109

Synonyms:N-(z-Pro-leu-gly-pro-gly)-N',N'-bis(2-chloroethyl)-p-phenylenediamine;Glycinamide, 1-((phenylmethoxy)carbonyl)-L-prolyl-L-leucylglycyl-L-prolyl-N-(4-(bis(2-chloroethyl)amino)phenyl)-;68427-15-6;C38H51Cl2N7O7;DTXSID80218545;C38-H51-Cl2-N7-O7;LS-72213

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Supply Marketing:

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

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Chemical Property of Glycinamide, 1-((phenylmethoxy)carbonyl)-L-prolyl-L-leucylglycyl-L-prolyl-N-(4-(bis(2-chloroethyl)amino)phenyl)-

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:1032.5°Cat760mmHg
Flash Point:578.2°C
Density:1.312g/cm³
XLogP3:4.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:19
Exact Mass:787.3227024
Heavy Atom Count:54
Complexity:1260

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CC(C(=O)NCC(=O)N1CCCC1C(=O)NC(=O)CNC2=CC=C(C=C2)N(CCCl)CCCl)NC(=O)C3CCCN3C(=O)OCC4=CC=CC=C4
Isomeric SMILES:CC(C)C[C@@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC(=O)CNC2=CC=C(C=C2)N(CCCl)CCCl)NC(=O)[C@@H]3CCCN3C(=O)OCC4=CC=CC=C4

Technology Process of Glycinamide, 1-((phenylmethoxy)carbonyl)-L-prolyl-L-leucylglycyl-L-prolyl-N-(4-(bis(2-chloroethyl)amino)phenyl)-

There total 5 articles about Glycinamide, 1-((phenylmethoxy)carbonyl)-L-prolyl-L-leucylglycyl-L-prolyl-N-(4-(bis(2-chloroethyl)amino)phenyl)- 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: 40.0%

: (S)-Pyrrolidine-2-carboxylic acid ({4-[bis-(2-chloro-ethyl)-amino]-phenylcarbamoyl}-methyl)-amide; hydrobromide

: 68427-07-6
Z-Pro-Leu-Gly-N-succinimidyl ester

: 68427-15-6
(S)-2-[(S)-1-(2-{(S)-2-[({4-[Bis-(2-chloro-ethyl)-amino]-phenylcarbamoyl}-methyl)-carbamoyl]-pyrrolidin-1-yl}-2-oxo-ethylcarbamoyl)-3-methyl-butylcarbamoyl]-pyrrolidine-1-carboxylic acid benzyl ester

Guidance literature:: With sodium hydrogencarbonate; In 1,2-dimethoxyethane; water; at 0 ℃;
DOI:10.1016/j.ejps.2004.09.006

Reference yield:

: 68427-04-3
(S)-2-[({4-[Bis-(2-chloro-ethyl)-amino]-phenylcarbamoyl}-methyl)-carbamoyl]-pyrrolidine-1-carboxylic acid benzyl ester

: 68427-15-6
(S)-2-[(S)-1-(2-{(S)-2-[({4-[Bis-(2-chloro-ethyl)-amino]-phenylcarbamoyl}-methyl)-carbamoyl]-pyrrolidin-1-yl}-2-oxo-ethylcarbamoyl)-3-methyl-butylcarbamoyl]-pyrrolidine-1-carboxylic acid benzyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 80 percent / HBr / acetic acid / 0.33 h

2: 40 percent / NaHCO₃ / 1,2-dimethoxy-ethane; H₂O / 0 °C

With hydrogen bromide; sodium hydrogencarbonate; In 1,2-dimethoxyethane; water; acetic acid;
DOI:10.1016/j.ejps.2004.09.006

Reference yield:

: 7801-38-9
Z-L-Pro-L-Leu-Gly

: 68427-15-6
(S)-2-[(S)-1-(2-{(S)-2-[({4-[Bis-(2-chloro-ethyl)-amino]-phenylcarbamoyl}-methyl)-carbamoyl]-pyrrolidin-1-yl}-2-oxo-ethylcarbamoyl)-3-methyl-butylcarbamoyl]-pyrrolidine-1-carboxylic acid benzyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: dicyclohexylcarbodiimide / CHCl₃ / 0 °C

2: 40 percent / NaHCO₃ / 1,2-dimethoxy-ethane; H₂O / 0 °C

With sodium hydrogencarbonate; dicyclohexyl-carbodiimide; In 1,2-dimethoxyethane; chloroform; water;
DOI:10.1016/j.ejps.2004.09.006