Benzoic acid, 2-chloro-5-(((2-methyl-3-furanyl)thioxomethyl)amino)-, 1-methylethyl ester

Base Information

• Chemical Name: Benzoic acid, 2-chloro-5-(((2-methyl-3-furanyl)thioxomethyl)amino)-, 1-methylethyl ester
• CAS No.: 135812-51-0
• Molecular Formula: C16H16ClNO3S
• Molecular Weight: 337.8211
• DSSTox Substance ID: DTXSID00159547
• Nikkaji Number: J726.307D
• ChEMBL ID: CHEMBL419347
• Mol file: 135812-51-0.mol

Synonyms:135812-51-0;Benzoic acid, 2-chloro-5-(((2-methyl-3-furanyl)thioxomethyl)amino)-, 1-methylethyl ester;2-Chloro-5-((1-(2-methyl-furan-3-yl)-methanethioyl)-amino)-benzoic acid, isopropyl ester;2-Chloro-5-{[1-(2-methyl-furan-3-yl)-methanethioyl]-amino}-benzoic acid, isopropyl ester;Benzoic acid, 2-chloro-5-[[(2-methyl-3-furanyl)thioxomethyl]amino]-, 1-methylethyl ester;Benzeneacetic acid der.;CHEMBL419347;SCHEMBL9203140;UC25;DTXSID00159547;UC-63;isopropyl 2-chloro-5-[(2-methylfuran-3-carbothioyl)amino]benzoate

Chemical Property of Benzoic acid, 2-chloro-5-(((2-methyl-3-furanyl)thioxomethyl)amino)-, 1-methylethyl ester

Chemical Property:

• Vapor Pressure: 7.89E-08mmHg at 25°C
• Boiling Point: 436.7°Cat760mmHg
• Flash Point: 217.9°C
• Density: 1.306g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 337.0539422
• Heavy Atom Count: 22
• Complexity: 418

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)C(=O)OC(C)C

Technology Process of Benzoic acid, 2-chloro-5-(((2-methyl-3-furanyl)thioxomethyl)amino)-, 1-methylethyl ester

There total 1 articles about Benzoic acid, 2-chloro-5-(((2-methyl-3-furanyl)thioxomethyl)amino)-, 1-methylethyl ester 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:

Lawessons reagent (19172-47-5,94367-93-8) + 1-methylethyl 2-chloro-5-[[(2-methyl-3-furanyl)carbonyl]amino]benzoate → UC25 (135812-51-0)

Guidance literature:

In hexane; ethyl acetate; toluene;

upstream raw materials:

Lawessons reagent