3-(1,3-Thiazol-4-yl)aniline

Base Information

• Chemical Name: 3-(1,3-Thiazol-4-yl)aniline
• CAS No.: 134812-28-5
• Molecular Formula: C9H8N2S
• Molecular Weight: 176.24
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID20567529
• Wikidata: Q82453435
• Mol file: 134812-28-5.mol

Synonyms:3-(1,3-Thiazol-4-yl)aniline;134812-28-5;3-(Thiazol-4-yl)aniline;SCHEMBL1879703;DTXSID20567529;MFCD09864282;AKOS010521270;BS-37364;3-(1,3-Thiazol-4-yl)aniline, AldrichCPR;CS-0269169;EN300-745516;F77471

Chemical Property of 3-(1,3-Thiazol-4-yl)aniline

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 386.392°C at 760 mmHg
• PKA: 3.70±0.10(Predicted)
• Flash Point: 187.483°C
• PSA: 67.15000
• Density: 1.262g/cm³
• LogP: 2.97350
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 176.04081944
• Heavy Atom Count: 12
• Complexity: 152

Purity/Quality:

97% ^*data from raw suppliers

3-(1,3-thiazol-4-yl)aniline ^*data from reagent suppliers

Safty Information:

• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)N)C2=CSC=N2

Technology Process of 3-(1,3-Thiazol-4-yl)aniline

There total 6 articles about 3-(1,3-Thiazol-4-yl)aniline 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: 84.0%

thiocarboxamide (115-08-2) + 3'-amino-2-bromoacetophenone hydrobromide (15473-81-1) → 3‐(1,3‐thiazol‐4‐yl)aniline (134812-28-5)

Guidance literature:

In ethanol; at 50 ℃; for 2h;

DOI:10.1002/jhet.5570280323

Reference yield: 61.0%

4‐(3‐nitrophenyl)‐1,3‐thiazole → 3‐(1,3‐thiazol‐4‐yl)aniline (134812-28-5)

Guidance literature:

With hydrazine hydrate; In ethanol; at 50 ℃;

DOI:10.1021/acschemneuro.8b00396

Reference yield: 61.0%

→ 3‐(1,3‐thiazol‐4‐yl)aniline (134812-28-5)

Guidance literature:

With hydrazine hydrate; In ethanol; at 50 ℃; for 0.25h;

In ethanol; water;

upstream raw materials:

thiocarboxamide

3'-amino-2-bromoacetophenone hydrobromide

1-(3-aminophenyl)ethanone

1-(3-formylaminophenyl)ethanone