5-Benzoyl-4-methyl-1,2,3-thiadiazole

Base Information

• Chemical Name: 5-Benzoyl-4-methyl-1,2,3-thiadiazole
• CAS No.: 59944-66-0
• Molecular Formula: C₁₀H₈N₂OS
• Molecular Weight: 204.252
• DSSTox Substance ID: DTXSID601243332
• Nikkaji Number: J2.676.687G
• Mol file: 59944-66-0.mol

Synonyms:59944-66-0;SCHEMBL6967486;KUULCDPKIGCIOE-UHFFFAOYSA-N;DTXSID601243332;5-benzoyl-4-methyl-1,2,3-thiadiazole;(4-Methyl-1,2,3-thiadiazol-5-yl)phenylmethanone

Chemical Property of 5-Benzoyl-4-methyl-1,2,3-thiadiazole

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 204.03573406
• Heavy Atom Count: 14
• Complexity: 216

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(SN=N1)C(=O)C2=CC=CC=C2

Technology Process of 5-Benzoyl-4-methyl-1,2,3-thiadiazole

There total 6 articles about 5-Benzoyl-4-methyl-1,2,3-thiadiazole 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: 97.0%

4-methyl-[1,2,3]thiadiazole-5-carboxylic acid (18212-21-0) → (4-methyl-1,2,3-thiadiazol-5-yl)(phenyl)methanone (59944-66-0)

Guidance literature:

4-methyl-[1,2,3]thiadiazole-5-carboxylic acid; With thionyl chloride; for 2h; Heating / reflux;

With aluminium trichloride; In benzene; for 3h; Heating / reflux;

Reference yield: 97.0%

→ (4-methyl-1,2,3-thiadiazol-5-yl)(phenyl)methanone (59944-66-0)

Guidance literature:

Reference yield: 71.0%

4-methyl-[1,2,3]thiadiazole-5-carbonyl chloride (59944-65-9) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → (4-methyl-1,2,3-thiadiazol-5-yl)(phenyl)methanone (59944-66-0)

Guidance literature:

With aluminium trichloride; for 8h; Heating;

DOI:10.1002/jps.2600700512

upstream raw materials:

4-methyl-[1,2,3]thiadiazole-5-carbonyl chloride

benzene

2-diazo-1-phenylbutane-1,3-dione

2-oximino-1-penyl-1,3-butanedione

Downstream raw materials:

(4-hydroxymethyl-[1,2,3]thiadiazol-5-yl)-phenyl-methanone

7-phenyl-[1,2,3]thiadiazolo[4,5-d]pyridazine

5-benzoyl-[1,2,3]thiadiazole-4-carbaldehyde

5-(α-chlorobenzyl)-4-methyl-1,2,3-thiadiazole