2-((4-Methoxyphenyl)amino)-2-thioxoacetic acid

Base Information

• Chemical Name: 2-((4-Methoxyphenyl)amino)-2-thioxoacetic acid
• CAS No.: 946-61-2
• Molecular Formula: C9H9NO3S
• Molecular Weight: 211.241
• DSSTox Substance ID: DTXSID70573670
• Wikidata: Q82462464
• Mol file: 946-61-2.mol

Synonyms:2-((4-Methoxyphenyl)amino)-2-thioxoacetic acid;946-61-2;2-(4-Methoxyanilino)-2-sulfanylideneacetic acid;Acetic acid, [(4-methoxyphenyl)amino]thioxo-;DTXSID70573670;AKOS015951309;(4-Methoxyanilino)(sulfanylidene)acetic acid;2-((4-Methoxyphenyl)amino)-2-thioxoaceticacid;A859300

Chemical Property of 2-((4-Methoxyphenyl)amino)-2-thioxoacetic acid

Chemical Property:

• PSA: 97.69000
• LogP: 1.73960
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 211.03031432
• Heavy Atom Count: 14
• Complexity: 224

Purity/Quality:

97% ^*data from raw suppliers

2-((4-Methoxyphenyl)amino)-2-thioxoaceticacid 95+% ^*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)O

Technology Process of 2-((4-Methoxyphenyl)amino)-2-thioxoacetic acid

There total 7 articles about 2-((4-Methoxyphenyl)amino)-2-thioxoacetic acid 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%

2-(4-methoxyphenylamino)-2-thioxoacetamide (71369-81-8) → 1-Thio-oxalsaeure-1-<4-methoxy-anilid> (946-61-2) + 6-methoxybenzothiazole-2-carboxamide (946-12-3)

Guidance literature:

With sodium hydroxide; potassium hexacyanoferrate(III); In water;

DOI:10.1023/A:1015082318393

Reference yield: 71.0%

2-(4-methoxyphenylamino)-2-thioxoacetamide (71369-81-8) → 1-Thio-oxalsaeure-1-<4-methoxy-anilid> (946-61-2)

Guidance literature:

With sodium hydroxide; at 20 ℃; for 48h;

DOI:10.1023/A:1015082318393

Reference yield:

methyl 2-((4-methoxyphenyl)amino)-2-thioxoacetate → 1-Thio-oxalsaeure-1-<4-methoxy-anilid> (946-61-2)

Guidance literature:

With sodium hydroxide; In ethanol; for 3h;

DOI:10.3390/molecules26165009

upstream raw materials:

2-(4-methoxyphenylamino)-2-thioxoacetamide

4-methoxy-aniline

(4-Methoxy-phenylamino)-thioxo-acetic acid ethyl ester

methyl 2-((4-methoxyphenyl)amino)-2-oxoacetate

Downstream raw materials:

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

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