3-(4,5-Dimethyl-thiazol-2-yl)-phenylamine

Base Information

• Chemical Name: 3-(4,5-Dimethyl-thiazol-2-yl)-phenylamine
• CAS No.: 134811-94-2
• Molecular Formula: C11H12N2S
• Molecular Weight: 204.29100
• DSSTox Substance ID: DTXSID701277792
• Mol file: 134811-94-2.mol

Synonyms:3-(4,5-Dimethyl-thiazol-2-yl)-phenylamine;134811-94-2;3-(4,5-Dimethylthiazol-2-yl)aniline;SCHEMBL1091789;OIJIBDFWTAKIBS-UHFFFAOYSA-N;DTXSID701277792;AKOS009868199;3-(4,5-Dimethyl-2-thiazolyl)benzenamine;3-(4,5-Dimethylthiazol-2-yl)phenylamine

Chemical Property of 3-(4,5-Dimethyl-thiazol-2-yl)-phenylamine

Chemical Property:

• Melting Point: 92 - 93 °C (petroleum ether)
• PSA: 67.15000
• LogP: 3.59030
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 204.07211956
• Heavy Atom Count: 14
• Complexity: 198

Purity/Quality:

99% ^*data from raw suppliers

3-(4,5-Dimethylthiazol-2-yl)aniline 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(SC(=N1)C2=CC(=CC=C2)N)C

Technology Process of 3-(4,5-Dimethyl-thiazol-2-yl)-phenylamine

There total 5 articles about 3-(4,5-Dimethyl-thiazol-2-yl)-phenylamine 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:

3-amino-thiobenzoic acid amide (78950-36-4) + 3-chloro-2-butanone (4091-39-8) → 2-(3-aminophenyl)-4,5-dimethylthiazole (134811-94-2)

Guidance literature:

In ethanol; at 100 ℃; for 72h;

Reference yield:

N-(3-cyanophenyl)acetamide (58202-84-9) → 2-(3-aminophenyl)-4,5-dimethylthiazole (134811-94-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 96 percent / H₂S, Et₃N, pyridine / 6 h / Ambient temperature

2: ethanol / Heating

3: conc. HCl / 2 h / Heating

With pyridine; hydrogenchloride; hydrogen sulfide; triethylamine; In ethanol;

DOI:10.1002/jhet.5570280324

Reference yield:

3-acetylaminothiobenzamide (93029-92-6) → 2-(3-aminophenyl)-4,5-dimethylthiazole (134811-94-2)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol / Heating

2: conc. HCl / 2 h / Heating

With hydrogenchloride; In ethanol;

DOI:10.1002/jhet.5570280324

upstream raw materials:

N-(3-cyanophenyl)acetamide

3-acetylaminothiobenzamide

m-cyanoaniline

3-amino-thiobenzoic acid amide

Refernces

• 1、 Zhang,Haemers,Vanden Berghe,Pattyn,Bollaert,Levshin. "Quinolone antibacterials. 2. 6-substituted-7-(2-thiazolyl and thiazolidinyl)quinolones". . p. 685 - 695. Retrieved 2007/10/02.