2-Amino-1-methyl-2-thioxoethyl benzoate

Base Information

• Chemical Name: 2-Amino-1-methyl-2-thioxoethyl benzoate
• CAS No.: 4917-74-2
• Molecular Formula: C10H11NO2S
• Molecular Weight: 209.269
• DSSTox Substance ID: DTXSID20405634
• NSC Number: 142046
• Mol file: 4917-74-2.mol

Synonyms:4917-74-2;2-AMINO-1-METHYL-2-THIOXOETHYL BENZOATE;NSC142046;SCHEMBL3899215;DTXSID20405634;ZZQFVQROLNTRMG-UHFFFAOYSA-N;NSC-142046;Benzoic acid 1-thiocarbamoyl-ethyl ester

Chemical Property of 2-Amino-1-methyl-2-thioxoethyl benzoate

Chemical Property:

• Vapor Pressure: 2.27E-05mmHg at 25°C
• Boiling Point: 360.1°Cat760mmHg
• Flash Point: 171.6°C
• Density: 1.235g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 209.05104977
• Heavy Atom Count: 14
• Complexity: 224

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C(=S)N)OC(=O)C1=CC=CC=C1

Technology Process of 2-Amino-1-methyl-2-thioxoethyl benzoate

There total 6 articles about 2-Amino-1-methyl-2-thioxoethyl benzoate 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: 98.0%

2-benzoyloxy-1-butyronitrile (98777-16-3,3478-24-8) → O-benzoylthiolactamide (4917-74-2)

Guidance literature:

With hydrogen sulfide; diethylamine; In ethanol; at 20 ℃; for 8h; under 3800 Torr; in a sealed stainless steel bomb;

DOI:10.1002/jhet.5570210240

Reference yield: 85.0%

2-benzoyloxy-propionic acid amide (23427-66-9) → O-benzoylthiolactamide (4917-74-2)

Guidance literature:

With Lawessons reagent; In 1,2-dimethoxyethane; at 20 ℃; for 8h;

DOI:10.1039/b603433k

Reference yield: 79.0%

Lawessons reagent (19172-47-5,94367-93-8) + 2-benzoyloxy-propionic acid amide (23427-66-9) → O-benzoylthiolactamide (4917-74-2)

Guidance literature:

In 1,2-dimethoxyethane; ethyl acetate;

upstream raw materials:

2-benzoyloxy-1-butyronitrile

2-benzoyloxy-propionic acid amide

triethanolamine

benzoyl chloride

Downstream raw materials:

benzoic acid-(1-thiazol-2-yl-ethyl ester)

1-benzoyloxy-1-(4-phenyl-thiazol-2-yl)-ethane

1-benzoyloxy-1-[4-(4-nitro-phenyl)-thiazol-2-yl]-ethane

2'-<1-(benzyloxy)ethyl>-2,4'-bithiazole-4-carboxylate