Acetamide, 2-bromo-N-[2-[(triphenylmethyl)thio]ethyl]-

Base Information

• Chemical Name: Acetamide, 2-bromo-N-[2-[(triphenylmethyl)thio]ethyl]-
• CAS No.: 136721-64-7
• Molecular Formula: C23H22BrNOS
• Molecular Weight: 440.404
• DSSTox Substance ID: DTXSID40460386
• Mol file: 136721-64-7.mol

Synonyms:136721-64-7;Acetamide, 2-bromo-N-[2-[(triphenylmethyl)thio]ethyl]-;SCHEMBL975668;DTXSID40460386;DYLAXLLCKLPULN-UHFFFAOYSA-N;Br-CH2-CONH-(CH2)2-STrt;N1-(2(tritylsulfanyl)ethyl)-2-bromoacetamide;N-2-Bromoacetyl-S-triphenylmethyl-2-aminoethanethiol

Chemical Property of Acetamide, 2-bromo-N-[2-[(triphenylmethyl)thio]ethyl]-

Chemical Property:

• XLogP3: 5.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 439.06055
• Heavy Atom Count: 27
• Complexity: 394

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCCNC(=O)CBr

Technology Process of Acetamide, 2-bromo-N-[2-[(triphenylmethyl)thio]ethyl]-

There total 4 articles about Acetamide, 2-bromo-N-[2-[(triphenylmethyl)thio]ethyl]- 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: 99.0%

2-amino tritylthio ethane (1095-85-8) + 2-Bromoacetyl bromide (598-21-0) → N-(2-bromoacetyl)-S-(triphenylmethyl)-2-aminoethanethiol (136721-64-7)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 1h;

Reference yield: 85.0%

2-amino tritylthio ethane (1095-85-8) + bromoacetic acid (79-08-3) → N-(2-bromoacetyl)-S-(triphenylmethyl)-2-aminoethanethiol (136721-64-7)

Guidance literature:

bromoacetic acid; With 4-methyl-morpholine; isobutyl chloroformate; In dichloromethane; at -15 ℃;

2-amino tritylthio ethane; In dichloromethane; at -15 - 15 ℃;

DOI:10.1021/ic9023053

Reference yield: 84.0%

<2-<(triphenylmethyl)thio>ethyl>amine hydrochloride (15297-43-5) + 2-Bromoacetyl bromide (598-21-0) → N-(2-bromoacetyl)-S-(triphenylmethyl)-2-aminoethanethiol (136721-64-7)

Guidance literature:

With triethylamine; In dichloromethane; at -78 - 20 ℃;

DOI:10.1071/CH14572

upstream raw materials:

2-amino tritylthio ethane

2-Bromoacetyl bromide

triphenylmethyl alcohol

bromoacetic acid

Downstream raw materials:

N-[2-[(triphenylmethyl)thio]ethyl]-2-[[2-[(triphenylmethyl)thio]ethyl]amino]acetamide

N-[2-(tritylthio)ethylaminocarbonylmethyl]-N-[2-(tritylthio)ethyl]-4-aminobutyric acid

4-{(2-tritylsulfanyl-ethyl)-[(2-tritylsulfanyl-ethylcarbamoyl)-methyl]-amino}-butyric acid methyl ester