2-(3-Chlorobenzoyl)thiazole

Base Information

• Chemical Name: 2-(3-Chlorobenzoyl)thiazole
• CAS No.: 845781-29-5
• Molecular Formula: C₁₀H₆ClNOS
• Molecular Weight: 223.683
• DSSTox Substance ID: DTXSID80373880
• Nikkaji Number: J3.247.860C
• Wikidata: Q82162250
• Mol file: 845781-29-5.mol

Synonyms:2-(3-Chlorobenzoyl)thiazole;845781-29-5;(3-chlorophenyl)(thiazol-2-yl)methanone;(3-chlorophenyl)-(1,3-thiazol-2-yl)methanone;SCHEMBL3835536;DTXSID80373880

Chemical Property of 2-(3-Chlorobenzoyl)thiazole

Chemical Property:

• Boiling Point: 127°C 0,1mm
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 222.9858627
• Heavy Atom Count: 14
• Complexity: 224

Purity/Quality:

98%min ^*data from raw suppliers

2-(3-CHLOROBENZOYL)THIAZOLE ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Cl)C(=O)C2=NC=CS2

Technology Process of 2-(3-Chlorobenzoyl)thiazole

There total 2 articles about 2-(3-Chlorobenzoyl)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: 93.0%

Thiazole-2-carbaldehyde (10200-59-6) + (3-chlorophenyl)magnesium bromide (36229-42-2) → (3-chlorophenyl)(thiazol-2-yl)methanone (845781-29-5)

Guidance literature:

In tetrahydrofuran; at 80 ℃; for 3h;

DOI:10.1021/jm701247k

Reference yield: 69.0%

1,3-thiazole (288-47-1) + m-Chlorobenzoyl chloride (618-46-2) → (3-chlorophenyl)(thiazol-2-yl)methanone (845781-29-5)

Guidance literature:

With dmap; triethylamine; In acetonitrile; at 80 ℃; for 24h; Sealed tube; Inert atmosphere;

DOI:10.1055/s-0033-1339858

Reference yield: 46.0%

N-(p-bromobenzyl)pyrrolidine (4897-55-6) + (3-chlorophenyl)(thiazol-2-yl)methanone (845781-29-5) → (3-chlorophenyl)[4-(pyrrolidin-1-ylmethyl)phenyl](thiazol-2-yl)methanol (949934-43-4)

Guidance literature:

N-(p-bromobenzyl)pyrrolidine; With magnesium; iodine; In tetrahydrofuran; for 6h;

(3-chlorophenyl)(thiazol-2-yl)methanone; In tetrahydrofuran; at 75 ℃; for 6h; Further stages.;

DOI:10.1021/jm701247k

upstream raw materials:

Thiazole-2-carbaldehyde

(3-chlorophenyl)magnesium bromide

1,3-thiazole

m-Chlorobenzoyl chloride

Downstream raw materials:

(3-chlorophenyl)[4-(pyrrolidin-1-ylmethyl)phenyl](thiazol-2-yl)methanol