2-Isopropyl-4-methylthiazole

Base Information

• Chemical Name: 2-Isopropyl-4-methylthiazole
• CAS No.: 15679-13-7
• Molecular Formula: C7H11NS
• Molecular Weight: 141.237
• Hs Code.: 29341000
• European Community (EC) Number: 239-758-4
• UNII: NQF7JO3MUP
• DSSTox Substance ID: DTXSID0047664
• Nikkaji Number: J108.861K
• Wikidata: Q27284996
• Metabolomics Workbench ID: 47645
• Mol file: 15679-13-7.mol

Synonyms:2-Isopropyl-4-methylthiazole;15679-13-7;2-isopropyl-4-methyl thiazole;Thiazole, 4-methyl-2-(1-methylethyl)-;4-Methyl-2-(1-methylethyl)thiazole;Thiazole, 2-isopropyl-4-methyl-;tropical thiazole;FEMA No. 3555;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-2-(1-methylethyl)-thiazole;NQF7JO3MUP;UNII-NQF7JO3MUP;2-Isopropyl-4-methyl-1,3-thiazole;EINECS 239-758-4;4-methyl-2-(propan-2-yl)-1,3-thiazole;2-isopropyl-4-methyl-thiazole;Thiazole, 4-methyl-2-isopropyl;FEMA 3555;MFCD00036561;peach thiazole;isopropyl methyl thiazole;4-Methyl-2-isopropylthiazol;SCHEMBL128817;DTXSID0047664;FEMA-3555;CHEBI:133679;Tiazol, 4-metil-2-(1-metiletil)-;AKOS006220724;CS-W016434;AC-10802;SY048499;4-Methyl-2-(1-methylethyl)thiazole, 9CI;LS-179032;2-ISOPROPYL-4-METHYLTHIAZOLE [FHFI];2-Isopropyl-4-methylthiazole, >=98%, FG;FT-0612707;I0423;D91146;EN300-174598;A809773;Q-100186;Q27284996

Chemical Property of 2-Isopropyl-4-methylthiazole

Chemical Property:

• Appearance/Colour: 36/37/38
• Vapor Pressure: 1.19mmHg at 25°C
• Refractive Index: n20/D 1.5(lit.)
• Boiling Point: 1.019 g/cm³
• PKA: 3.63±0.10(Predicted)
• Flash Point: 58.3 °C
• PSA: 41.13000
• Density: 1.019 g/cm³
• LogP: 2.57490
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 141.06122053
• Heavy Atom Count: 9
• Complexity: 92.9

Purity/Quality:

99% ^*data from raw suppliers

2-Isopropyl-4-methylthiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CSC(=N1)C(C)C
• Description: 2-Isopropyl-4-methylthiazole is green, vegetable, nutty, rooty, and earthy.

Technology Process of 2-Isopropyl-4-methylthiazole

There total 1 articles about 2-Isopropyl-4-methylthiazole 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:

→ 2-isopropyl-4-methylthiazole (15679-13-7)

Guidance literature:

Isobutyramid, α-Brom-aceton, P2S5;

Reference yield: 97.0%

2-isopropyl-4-methylthiazole (15679-13-7) + 4-bromobenzenecarbonitrile (623-00-7) → 4-(2-isopropyl-4-methylthiazol-5-yl)benzonitrile

Guidance literature:

With palladium 10% on activated carbon; potassium acetate; In i-Amyl alcohol; at 150 ℃; for 16h; Solvent; Inert atmosphere; Green chemistry;

DOI:10.1002/adsc.201800596

Reference yield: 97.0%

2-isopropyl-4-methylthiazole (15679-13-7) + para-bromoacetophenone (99-90-1) → 1-(4-(2-isopropyl-4-methylthiazol-5-yl)phenyl)ethan-1-one

Guidance literature:

With palladium 10% on activated carbon; potassium acetate; In i-Amyl alcohol; at 150 ℃; for 16h; Solvent; Inert atmosphere; Green chemistry;

DOI:10.1002/adsc.201800596

Downstream raw materials:

2-isopropyl-4-methylthiazole N-oxide

2-isopropyl-4-methyl-5-(2,3,5,6-tetrafluorophenyl)thiazole