Glycine, N-((phenylmethoxy)carbonyl)-, 2-((1-oxohexadecyl)amino)-1-(((1-oxohexadecyl)amino)methyl)ethyl ester

Base Information

• Chemical Name: Glycine, N-((phenylmethoxy)carbonyl)-, 2-((1-oxohexadecyl)amino)-1-(((1-oxohexadecyl)amino)methyl)ethyl ester
• CAS No.: 138404-99-6
• Molecular Formula: C45H79 N3 O6
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID90160662
• Nikkaji Number: J488.460D
• Wikidata: Q83029017
• Mol file: 138404-99-6.mol

Synonyms:138404-99-6;Glycine, N-((phenylmethoxy)carbonyl)-, 2-((1-oxohexadecyl)amino)-1-(((1-oxohexadecyl)amino)methyl)ethyl ester;1,3-bis(hexadecanoylamino)propan-2-yl 2-(phenylmethoxycarbonylamino)acetate;1,3-BIS(HEXADECANOYLAMINO)PROPAN-2-YL 2-PHENYLMETHOXYCARBONYLAMINOACET ATE;DTXSID90160662;PWINRWLNDIBUCE-UHFFFAOYSA-N;C45H79N3O6;C45-H79-N3-O6;LS-72838;2-[[(Benzyloxy)carbonyl]amino]acetic acid [1-[[(1-oxohexadecyl)amino]methyl]-2-[(1-oxohexadecyl)amino]ethyl] ester

Chemical Property of Glycine, N-((phenylmethoxy)carbonyl)-, 2-((1-oxohexadecyl)amino)-1-(((1-oxohexadecyl)amino)methyl)ethyl ester

Chemical Property:

• Vapor Pressure: 1.8E-30mmHg at 25°C
• Boiling Point: 866.9°Cat760mmHg
• Flash Point: 478.1°C
• PSA: 133.30000
• Density: 0.996g/cm³
• LogP: 12.90460
• XLogP3: 14.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 39
• Exact Mass: 757.59688725
• Heavy Atom Count: 54
• Complexity: 864

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)NCC(CNC(=O)CCCCCCCCCCCCCCC)OC(=O)CNC(=O)OCC1=CC=CC=C1

Technology Process of Glycine, N-((phenylmethoxy)carbonyl)-, 2-((1-oxohexadecyl)amino)-1-(((1-oxohexadecyl)amino)methyl)ethyl ester

There total 1 articles about Glycine, N-((phenylmethoxy)carbonyl)-, 2-((1-oxohexadecyl)amino)-1-(((1-oxohexadecyl)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:

N,N'-(2-hydroxypropane-1,3-diyl)dipalmitamide (138404-84-9) + N-(Benzyloxycarbonyl)glycine (1138-80-3) → Benzyloxycarbonylamino-acetic acid 2-hexadecanoylamino-1-(hexadecanoylamino-methyl)-ethyl ester (138404-99-6)

Guidance literature:

With dmap; Isopropenyl chloroformate; triethylamine; In tetrahydrofuran; Ambient temperature;

DOI:10.1111/j.2042-7158.1991.tb03491.x

Reference yield:

Benzyloxycarbonylamino-acetic acid 2-hexadecanoylamino-1-(hexadecanoylamino-methyl)-ethyl ester (138404-99-6) → N,N'-dipalmitoyl-O-{N-[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]-2-aminoethanoyl}-1,3-diaminopropan-2-ol (147879-82-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 86 percent / cyclohexene / 10 percent Pd/C / propan-2-ol / 0.33 h / Heating

2: 57 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

upstream raw materials:

N,N'-(2-hydroxypropane-1,3-diyl)dipalmitamide

N-(Benzyloxycarbonyl)glycine

Downstream raw materials:

N,N'-dipalmitoyl-O-{N-[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]-2-aminoethanoyl}-1,3-diaminopropan-2-ol

Refernces