n-(5-Benzyl-1,3-thiazol-2-yl)-2-chlorobenzamide

Base Information

• Chemical Name: n-(5-Benzyl-1,3-thiazol-2-yl)-2-chlorobenzamide
• CAS No.: 5538-53-4
• Molecular Formula: C17H13ClN2OS
• Molecular Weight: 233.051
• DSSTox Substance ID: DTXSID80970717
• Wikidata: Q82953966
• Mol file: 5538-53-4.mol

Synonyms:5538-53-4;n-(5-benzyl-1,3-thiazol-2-yl)-2-chlorobenzamide;Cambridge id 5538534;Oprea1_146148;Oprea1_772707;DTXSID80970717;STK952025;AKOS002219566;AB00088009-01;SR-01000404887;SR-01000404887-1;N-(5-Benzyl-1,3-thiazol-2-yl)-2-chlorobenzene-1-carboximidic acid

Chemical Property of n-(5-Benzyl-1,3-thiazol-2-yl)-2-chlorobenzamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.356g/cm³
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 328.0437119
• Heavy Atom Count: 22
• Complexity: 376

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)C3=CC=CC=C3Cl

Technology Process of n-(5-Benzyl-1,3-thiazol-2-yl)-2-chlorobenzamide

There total 3 articles about n-(5-Benzyl-1,3-thiazol-2-yl)-2-chlorobenzamide 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-acetoxy-5-chloro-benzoic acid (1734-62-9) → 2-acetoxy-5-chlorobenzoyl chloride (5538-53-4)

Guidance literature:

With phosphorus pentachloride; benzene;

Reference yield:

5-chloro-2-hydroxybenzoic acid (321-14-2) → 2-acetoxy-5-chlorobenzoyl chloride (5538-53-4)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / 10 h / 20 °C

2: SOCl₂; urea / toluene / 3 h / 100 - 110 °C

With thionyl chloride; urea; In pyridine; toluene;

DOI:10.1081/SCC-100104333

Reference yield:

→ 2-acetoxy-5-chlorobenzoyl chloride (5538-53-4)

Guidance literature:

upstream raw materials:

2-acetoxy-5-chloro-benzoic acid

5-chloro-2-hydroxybenzoic acid

Downstream raw materials:

(E)-2-(2-Acetoxy-5-chloro-benzoyl)-3-hydroxy-but-2-enoic acid ethyl ester

3-Benzoyl-4-hydroxy-6-chlorocoumarin

8-(N-2-hydroxy-5-chlorobenzoyl)aminocaprylic acid

3-(2-hydroxy-5-chlorobenzoyl)aminopropionic acid

Refernces

• 1、 -. "COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS AND SYNTHESIS OF THE SAME". Page/Page column 86. . Retrieved 2014/10/18.
• 2、 Jeankumar, Variam Ullas,Chandran, Manoj,Samala, Ganesh,Alvala, Mallika,Koushik, Pulla Venkat,Yogeeswari, Perumal,Salina, Elena G.,Sriram, Dharmarajan. "Development of 5-nitrothiazole derivatives: Identification of leads against both replicative and latent Mycobacterium tuberculosis". . p. 7414 - 7417. Retrieved 2013/02/22.