5-Thiazolecarboxamide, 2,3-dihydro-4-amino-3-(4-methoxyphenyl)-2-thioxo-

Base Information

• Chemical Name: 5-Thiazolecarboxamide, 2,3-dihydro-4-amino-3-(4-methoxyphenyl)-2-thioxo-
• CAS No.: 64686-83-5
• Molecular Formula: C₁₁H₁₁N₃O₂S₂
• Molecular Weight: 281.359
• DSSTox Substance ID: DTXSID00214983

Synonyms:5-Thiazolecarboxamide, 2,3-dihydro-4-amino-3-(4-methoxyphenyl)-2-thioxo-;64686-83-5;BRN 1135716;2,3-Dihydro-4-amino-3-(4-methoxyphenyl)-2-thioxo-5-thiazolecarboxamide;4-Amino-3-(4-methoxyphenyl)-2-thioxo-2,3-dihydro-5-thiazolecarboxamide;DTXSID00214983;STL363704;AKOS000348604;4-amino-3-(4-methoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide

Chemical Property of 5-Thiazolecarboxamide, 2,3-dihydro-4-amino-3-(4-methoxyphenyl)-2-thioxo-

Chemical Property:

• Vapor Pressure: 9.06E-10mmHg at 25°C
• Boiling Point: 490.6°Cat760mmHg
• Flash Point: 250.5°C
• PSA: 144.59000
• Density: 1.54g/cm³
• LogP: 3.42340
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 281.02926895
• Heavy Atom Count: 18
• Complexity: 403

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)N)N

Technology Process of 5-Thiazolecarboxamide, 2,3-dihydro-4-amino-3-(4-methoxyphenyl)-2-thioxo-

There total 1 articles about 5-Thiazolecarboxamide, 2,3-dihydro-4-amino-3-(4-methoxyphenyl)-2-thioxo- 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:

4-Methoxyphenyl isothiocyanate (2284-20-0) + cyanoacetic acid amide (107-91-5) → 4-amino-3-(4-methoxy-phenyl)-2-thioxo-2,3-dihydro-thiazole-5-carboxylic acid amide (64686-83-5)

Guidance literature:

With sulfur; triethylamine; In N,N-dimethyl-formamide;

Reference yield:

4-amino-3-(4-methoxy-phenyl)-2-thioxo-2,3-dihydro-thiazole-5-carboxylic acid amide (64686-83-5) + orthoformic acid triethyl ester (122-51-0) → 3-(4-methoxyphenyl)-7-oxothiazolo[4,5-d]pyrimidin-2(3H)-thione (1024013-88-4)

Guidance literature:

With acetic anhydride; for 12h; Heating;

DOI:10.1080/10426500701323333

upstream raw materials:

4-Methoxyphenyl isothiocyanate

cyanoacetic acid amide

Downstream raw materials:

3-(4-methoxyphenyl)-7-oxothiazolo[4,5-d]pyrimidin-2(3H)-thione

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