4-(4-Isobutylphenyl)-1,3-thiazol-2-amine

Base Information

• Chemical Name: 4-(4-Isobutylphenyl)-1,3-thiazol-2-amine
• CAS No.: 351982-44-0
• Molecular Formula: C₁₃H₁₆N₂S
• Molecular Weight: 232.349
• European Community (EC) Number: 672-131-7
• DSSTox Substance ID: DTXSID30357857
• Wikidata: Q82138028
• Mol file: 351982-44-0.mol

Synonyms:4-(4-isobutylphenyl)-1,3-thiazol-2-amine;351982-44-0;4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine;Cambridge id 5772451;2-Thiazolamine, 4-[4-(2-methylpropyl)phenyl]-;Oprea1_401354;SCHEMBL474305;DTXSID30357857;QHFXFYBCBXWOGR-UHFFFAOYSA-N;BBL015645;MFCD01471574;STK415820;4-(4-Isobutylphenyl)thiazol-2-amine;AKOS000263432;CCG-324417;VS-04986;CS-0216486;EN300-44961;AB00096427-01;SR-01000219520;J-019991;SR-01000219520-1;Z240125504

Chemical Property of 4-(4-Isobutylphenyl)-1,3-thiazol-2-amine

Chemical Property:

• Vapor Pressure: 2.54E-06mmHg at 25°C
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 232.10341969
• Heavy Atom Count: 16
• Complexity: 212

Purity/Quality:

98%Min ^*data from raw suppliers

4-(4-Isobutylphenyl)-1,3-thiazol-2-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC1=CC=C(C=C1)C2=CSC(=N2)N

Technology Process of 4-(4-Isobutylphenyl)-1,3-thiazol-2-amine

There total 4 articles about 4-(4-Isobutylphenyl)-1,3-thiazol-2-amine 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: 90.0%

thiourea (17356-08-0) + 4-(isobutyl)phenacyl chloride (56374-25-5) → 2-amino-4-[(4-isobutyl)phenyl]thiazole (351982-44-0)

Guidance literature:

In water; for 4.5h; Heating;

Reference yield:

1-(4-isobutyl-phenyl)-ethanone (38861-78-8) + thiourea (17356-08-0) → 2-amino-4-[(4-isobutyl)phenyl]thiazole (351982-44-0)

Guidance literature:

With iodine; In water; at 60 ℃;

DOI:10.1016/j.bioorg.2015.11.001

Reference yield:

1-phenyl-2-methylpropane (538-93-2) → 2-amino-4-[(4-isobutyl)phenyl]thiazole (351982-44-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 87 percent / AlCl₃ / 1,2-dichloro-ethane / 3.5 h / 0 - 5 °C

2: 90 percent / H₂O / 4.5 h / Heating

With aluminium trichloride; In water; 1,2-dichloro-ethane;

upstream raw materials:

thiourea

4-(isobutyl)phenacyl chloride

1-phenyl-2-methylpropane

1-(4-isobutyl-phenyl)-ethanone

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