Ethyl 2-[[2-(phenylmethoxycarbonylamino)-3-tritylsulfanylpropanoyl]amino]acetate

Base Information

• Chemical Name: Ethyl 2-[[2-(phenylmethoxycarbonylamino)-3-tritylsulfanylpropanoyl]amino]acetate
• CAS No.: 3695-78-1
• Molecular Formula: C34H34 N2 O5 S
• Molecular Weight: 582.7092
• NSC Number: 129879
• Mol file: 3695-78-1.mol

Synonyms:NSC129879;NSC-129879;3695-78-1

Chemical Property of Ethyl 2-[[2-(phenylmethoxycarbonylamino)-3-tritylsulfanylpropanoyl]amino]acetate

Chemical Property:

• Vapor Pressure: 6.89E-22mmHg at 25°C
• Boiling Point: 742°Cat760mmHg
• Flash Point: 402.6°C
• Density: 1.218g/cm³
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 15
• Exact Mass: 582.21884336
• Heavy Atom Count: 42
• Complexity: 784

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CNC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Technology Process of Ethyl 2-[[2-(phenylmethoxycarbonylamino)-3-tritylsulfanylpropanoyl]amino]acetate

There total 3 articles about Ethyl 2-[[2-(phenylmethoxycarbonylamino)-3-tritylsulfanylpropanoyl]amino]acetate 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:

S-trityl-L-cysteine (2799-07-7) → ethyl S-triphenylmethyl-N-benzoxycarbonyl-L-cysteinyl-glycinate (3695-78-1)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH / dioxane

2: DCC, Et₃N / CHCl₃

With sodium hydroxide; triethylamine; dicyclohexyl-carbodiimide; In 1,4-dioxane; chloroform;

DOI:10.1021/ja00879a019

Reference yield:

trityl chloride (76-83-5) → ethyl S-triphenylmethyl-N-benzoxycarbonyl-L-cysteinyl-glycinate (3695-78-1)

Guidance literature:

Multi-step reaction with 3 steps

1: dimethylformamide

2: aq. NaOH / dioxane

3: DCC, Et₃N / CHCl₃

With sodium hydroxide; triethylamine; dicyclohexyl-carbodiimide; In 1,4-dioxane; chloroform; N,N-dimethyl-formamide;

DOI:10.1021/ja00879a019

Reference yield:

N-benzyloxycarbonyl-S-trityl-L-cysteine (26311-04-6) + glycine ethyl ester hydrochloride (623-33-6) → ethyl S-triphenylmethyl-N-benzoxycarbonyl-L-cysteinyl-glycinate (3695-78-1)

Guidance literature:

With triethylamine; dicyclohexyl-carbodiimide; In chloroform;

DOI:10.1021/ja00879a019

upstream raw materials:

N-benzyloxycarbonyl-S-trityl-L-cysteine

glycine ethyl ester hydrochloride

S-trityl-L-cysteine

trityl chloride

Downstream raw materials:

Ethyl-N,N'-bis-carbobenzoxy-L-cystinyl-monoglycinat

(R)-2-Benzyloxycarbonylamino-3-[(R)-2-benzyloxycarbonylamino-2-(ethoxycarbonylmethyl-carbamoyl)-ethyldisulfanyl]-propionic acid methyl ester

N--glycin-ethylester