2-((4-Methoxyphenyl)amino)-2-thioxoacetamide

Base Information

• Chemical Name: 2-((4-Methoxyphenyl)amino)-2-thioxoacetamide
• CAS No.: 71369-81-8
• Molecular Formula: C9H10N2O2S
• Molecular Weight: 210.257
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID10443065
• Nikkaji Number: J666.346J
• Wikidata: Q82260762
• Mol file: 71369-81-8.mol

Synonyms:71369-81-8;2-((4-Methoxyphenyl)amino)-2-thioxoacetamide;2-(4-METHOXYPHENYLAMINO)-2-THIOXOACETAMIDE;2-(4-methoxyanilino)-2-sulfanylideneacetamide;2-(4-Methoxyanilino)-2-thioxo-acetamide;DTXSID10443065;CS1068;MFCD00158777;AKOS003245656;2-Thioxo-2-(4-methoxyanilino)acetamide;AS-66430;1-[(4-methoxyphenyl)carbamothioyl]formamide;CS-0455114;FT-0641346;A837165

Chemical Property of 2-((4-Methoxyphenyl)amino)-2-thioxoacetamide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.671
• Boiling Point: 358.814 °C at 760 mmHg
• Flash Point: 170.805 °C
• PSA: 96.44000
• Density: 1.355 g/cm³
• LogP: 1.69310
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 210.04629874
• Heavy Atom Count: 14
• Complexity: 225

Purity/Quality:

99% ^*data from raw suppliers

2-((4-Methoxyphenyl)amino)-2-thioxoacetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)NC(=S)C(=O)N

Technology Process of 2-((4-Methoxyphenyl)amino)-2-thioxoacetamide

There total 3 articles about 2-((4-Methoxyphenyl)amino)-2-thioxoacetamide 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: 80.0%

4-methoxy-aniline (104-94-9) + Chloroacetamide (79-07-2) → 2-(4-methoxyphenylamino)-2-thioxoacetamide (71369-81-8)

Guidance literature:

With sulfur; triethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 8h;

DOI:10.1023/A:1015082318393

Reference yield: 72.0%

5-(p-Anisylimino)-4-chloro-5H-1,2,3-dithiazole → 2-(4-methoxyphenylamino)-2-thioxoacetamide (71369-81-8)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; for 15h; Heating;

Reference yield:

→ 2-(4-methoxyphenylamino)-2-thioxoacetamide (71369-81-8)

Guidance literature:

Trichloracetamid, 1)Monochloressigsaeure, aethanol. NaOH, H2S ( -> Carbamoylthiocarbonylthioessigsaeure), 2)p-Anisidin, wss. A.;

DOI:10.1246/bcsj.36.331

upstream raw materials:

4-methoxy-aniline

Chloroacetamide

Downstream raw materials:

6-methoxybenzothiazole-2-carboxamide

2-cyano-6-methoxybenzothiazole

6-methoxybenzo[d]thiazol-2-carboxylic acid

1-Thio-oxalsaeure-1-<4-methoxy-anilid>

Refernces

• 1、 Yarovenko, V. N.,Stoyanovich, F. M.,Zolotarskaya, O. Yu.,Chernoburova, E. I.,Zararzin, I. V.,Krayushkin, M. M.. "New approach to the synthesis of 2-carbamoylbenzothiazoles". . p. 144 - 147. Retrieved 2007/10/03.