Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, 2-((3-cyclohexyl-1-oxopropyl)amino)-1-(((3-cyclohexyl-1-oxopropyl)amino)methyl)ethyl ester, (+-)-

Base Information

Chemical Name:Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, 2-((3-cyclohexyl-1-oxopropyl)amino)-1-(((3-cyclohexyl-1-oxopropyl)amino)methyl)ethyl ester, (+-)-
CAS No.:147879-84-3
Molecular Formula:C₃₅H₅₃N₃O₆S
Molecular Weight:643.888
Hs Code.:
DSSTox Substance ID:DTXSID90933237
Nikkaji Number:J545.623A

Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, 2-((3-cyclohexyl-1-oxopropyl)amino)-1-(((3-cyclohexyl-1-oxopropyl)amino)methyl)ethyl ester, (+-)-

Synonyms:147879-84-3;Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, 2-((3-cyclohexyl-1-oxopropyl)amino)-1-(((3-cyclohexyl-1-oxopropyl)amino)methyl)ethyl ester, (+-)-;C35H53N3O6S;DTXSID90933237;C35-H53-N3-O6-S;LS-72242;2-[[3-(Acetylthio)-2-benzylpropionyl]amino]acetic acid [1,3-bis[(3-cyclohexylpropionyl)amino]propan-2-yl] ester;N,N'-{2-[(N-{2-[(Acetylsulfanyl)methyl]-1-hydroxy-3-phenylpropylidene}glycyl)oxy]propane-1,3-diyl}bis(3-cyclohexylpropanimidic acid)

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

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Chemical Property of Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, 2-((3-cyclohexyl-1-oxopropyl)amino)-1-(((3-cyclohexyl-1-oxopropyl)amino)methyl)ethyl ester, (+-)-

Chemical Property:

Vapor Pressure:1.17E-31mmHg at 25°C
Boiling Point:881.9°C at 760 mmHg
Flash Point:487.2°C
Density:1.133g/cm³
XLogP3:6.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:20
Exact Mass:643.36550759
Heavy Atom Count:45
Complexity:890

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCC(=O)OC(CNC(=O)CCC2CCCCC2)CNC(=O)CCC3CCCCC3

Technology Process of Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, 2-((3-cyclohexyl-1-oxopropyl)amino)-1-(((3-cyclohexyl-1-oxopropyl)amino)methyl)ethyl ester, (+-)-

There total 2 articles about Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, 2-((3-cyclohexyl-1-oxopropyl)amino)-1-(((3-cyclohexyl-1-oxopropyl)amino)methyl)ethyl 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: 18.0%

: 91702-98-6,80969-99-9
3-acetylthio-2-benzylpropanoic acid

: Amino-acetic acid 2-(3-cyclohexyl-propionylamino)-1-[(3-cyclohexyl-propionylamino)-methyl]-ethyl ester

: 147879-84-3
(2-Acetylsulfanylmethyl-3-phenyl-propionylamino)-acetic acid 2-(3-cyclohexyl-propionylamino)-1-[(3-cyclohexyl-propionylamino)-methyl]-ethyl ester

Guidance literature:: With benzotriazol-1-ol; dicyclohexyl-carbodiimide; In tetrahydrofuran; ethyl acetate; at 20 ℃; for 20h;
DOI:10.1023/A:1016214506667

Reference yield:

: 138405-01-3
Benzyloxycarbonylamino-acetic acid 2-(3-cyclohexyl-propionylamino)-1-[(3-cyclohexyl-propionylamino)-methyl]-ethyl ester

: 147879-84-3
(2-Acetylsulfanylmethyl-3-phenyl-propionylamino)-acetic acid 2-(3-cyclohexyl-propionylamino)-1-[(3-cyclohexyl-propionylamino)-methyl]-ethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: cyclohexene / 10 percent Pd/C / propan-2-ol / 0.33 h / Heating

2: 18 percent / hydroxybenzotriazole; DCC / ethyl acetate; tetrahydrofuran / 20 h / 20 °C

With benzotriazol-1-ol; dicyclohexyl-carbodiimide; cyclohexene; palladium on activated charcoal; In tetrahydrofuran; ethyl acetate; isopropyl alcohol; 1: Hydrogenolysis / 2: Acylation;
DOI:10.1023/A:1016214506667