5-tert-Butyl-4-methyl-thiazol-2-ylamine

Base Information

• Chemical Name: 5-tert-Butyl-4-methyl-thiazol-2-ylamine
• CAS No.: 45865-42-7
• Molecular Formula: C8H14N2S
• Molecular Weight: 170.2752
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID70360128
• Nikkaji Number: J2.030.799D
• Wikidata: Q82141702
• Mol file: 45865-42-7.mol

Synonyms:45865-42-7;5-(tert-Butyl)-4-methylthiazol-2-amine;5-tert-Butyl-4-methyl-thiazol-2-ylamine;5-tert-butyl-4-methyl-1,3-thiazol-2-amine;2-amino-5-t-butyl-4-methylthiazole;2-Thiazolamine, 5-(1,1-dimethylethyl)-4-methyl-;BAS 05968507;5-tert-butyl-4-methylthiazole-2-ylamine;SCHEMBL944021;DTXSID70360128;WCDNODZFXIBEJD-UHFFFAOYSA-N;HMS1684I16;MFCD03724919;AKOS000320666;2-Amino-5-tert-butyl-4-methylthiazole;5-tert-butyl-4-methylthiazol-2-ylamine;AS-63993;5-tert-butyl-thiazole-4-methyl-2-ylamine;5-tert-butyl-4-methylthiazol-2(3H)-imine;5- tert -Butyl-4-methyl-thiazol-2-ylamine;CS-0153619;FT-0677126;D70696;EN300-249622;A872323

Chemical Property of 5-tert-Butyl-4-methyl-thiazol-2-ylamine

Chemical Property:

• Melting Point: 70-71 °C
• Boiling Point: 269.6 °C at 760 mmHg
• PKA: 6.08±0.10(Predicted)
• Flash Point: 116.8 °C
• PSA: 67.15000
• Density: 1.081 g/cm³
• LogP: 2.91240
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 170.08776963
• Heavy Atom Count: 11
• Complexity: 142

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-tert-Butyl-4-methyl-thiazol-2-ylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-tert-Butyl-4-methyl-thiazol-2-ylamine

There total 2 articles about 5-tert-Butyl-4-methyl-thiazol-2-ylamine 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: 39.0%

4,4-dimethyl-pentan-2-one (590-50-1) + thiourea (17356-08-0) → 5-(1,1-dimethyl)ethyl-4-methylthiazol-2-ylamine (45865-42-7) + 4-(2,2-dimethyl)propylthiazol-2-ylamine

Guidance literature:

With iodine; at 100 ℃; for 8h;

DOI:10.1248/cpb.52.634

Reference yield:

4-methylthiazol-2-ylamine (1603-91-4) + tert-butyl alcohol (75-65-0) → 5-(1,1-dimethyl)ethyl-4-methylthiazol-2-ylamine (45865-42-7)

Guidance literature:

With sulfuric acid;

DOI:10.1007/BF01031760

Reference yield: 99.0%

5-(1,1-dimethyl)ethyl-4-methylthiazol-2-ylamine (45865-42-7) + 3-chlorophenylsulfonyl chloride (2888-06-4) → N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-3-chlorobenzenesulfonamide

Guidance literature:

With pyridine; at 20 ℃; for 12h;

DOI:10.1080/00397910500186730

upstream raw materials:

4-methylthiazol-2-ylamine

tert-butyl alcohol

4,4-dimethyl-pentan-2-one

thiourea

Downstream raw materials:

N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-3-nitrobenzenesulfonamide

N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-benzenesulfonamide

N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide

Refernces