2-Methyl-4-(2-thienyl)-1,3-thiazole

Base Information

• Chemical Name: 2-Methyl-4-(2-thienyl)-1,3-thiazole
• CAS No.: 21036-67-9
• Molecular Formula: C₈H₇NS₂
• Molecular Weight: 181.282
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40352813
• Nikkaji Number: J3.586.435K
• Wikidata: Q82130184
• Mol file: 21036-67-9.mol

Synonyms:2-methyl-4-(2-thienyl)-1,3-thiazole;21036-67-9;2-methyl-4-thiophen-2-yl-1,3-thiazole;2-Methyl-4-(thiophen-2-yl)thiazole;2-methyl-4-(thiophen-2-yl)-1,3-thiazole;Thiazole,2-methyl-4-(2-thienyl)-;Enamine_004997;SCHEMBL5027456;DTXSID40352813;2-methyl-4-thiophen-2-ylthiazole;HMS1408D03;MFCD01116539;AKOS000115159;IDI1_007584;TS-01426;CS-0218575;FT-0612956;EN300-01412;A815155;W-206587;Z48850709

Chemical Property of 2-Methyl-4-(2-thienyl)-1,3-thiazole

Chemical Property:

• Vapor Pressure: 0.0031mmHg at 25°C
• Melting Point: 61oC
• Boiling Point: 293°Cat760mmHg
• PKA: 2.50±0.10(Predicted)
• Flash Point: 129.7°C
• PSA: 69.37000
• Density: 1.266g/cm³
• LogP: 3.18000
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 181.00199157
• Heavy Atom Count: 11
• Complexity: 140

Purity/Quality:

99%min ^*data from raw suppliers

2-Methyl-4-(2-thienyl)-1,3-thiazole 90% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=CS1)C2=CC=CS2

Technology Process of 2-Methyl-4-(2-thienyl)-1,3-thiazole

There total 3 articles about 2-Methyl-4-(2-thienyl)-1,3-thiazole 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: 54.0%

2-acetylthiophene oxime (1956-45-2,92313-45-6,92313-54-7) + acetic anhydride (108-24-7) → 2-methyl-4-(thiophen-2-yl)thiazole (21036-67-9)

Guidance literature:

With copper(l) iodide; potassium thioacyanate; In toluene; at 120 ℃; for 24h; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.joc.6b02124

Reference yield:

2-Bromoacetylthiophene (10531-41-6) + thioacetamide (62-55-5) → 2-methyl-4-(thiophen-2-yl)thiazole (21036-67-9)

Guidance literature:

Reference yield:

→ 2-methyl-4-(thiophen-2-yl)thiazole (21036-67-9)

Guidance literature:

/BRN= 128400/;

upstream raw materials:

2-Bromoacetylthiophene

thioacetamide

2-acetylthiophene oxime

acetic anhydride

Refernces