Methyl 2-benzamido-5-chlorobenzoate

Base Information

• Chemical Name: Methyl 2-benzamido-5-chlorobenzoate
• CAS No.: 100865-38-1
• Molecular Formula: C₁₅H₁₂ClNO₃
• Molecular Weight: 289.718
• European Community (EC) Number: 600-137-1
• DSSTox Substance ID: DTXSID70576106
• Wikidata: Q82465646
• Mol file: 100865-38-1.mol

Synonyms:METHYL 2-BENZAMIDO-5-CHLOROBENZOATE;100865-38-1;DTXSID70576106

Chemical Property of Methyl 2-benzamido-5-chlorobenzoate

Chemical Property:

• Melting Point: 140 °C
• Refractive Index: 1.628
• Boiling Point: 354.8±32.0 °C(Predicted)
• PKA: 12.03±0.70(Predicted)
• PSA: 58.89000
• Density: 1.328±0.06 g/cm3(Predicted)
• LogP: 3.76290
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 289.0505709
• Heavy Atom Count: 20
• Complexity: 355

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 2-benzamido-5-chlorobenzoate

There total 3 articles about Methyl 2-benzamido-5-chlorobenzoate 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: 4.0%

6-chloro-2-phenylquinolin-4(1H)-one (112182-50-0) → methyl 2-benzamido-5-chlorobenzoate (100865-38-1) + 2-benzamido-5-chlorobenzoic acid (19407-45-5) + (5-chlorobenzo[c]isoxazol-3-yl)(phenyl)methanone + 6-chloro-2-phenyl-benzo[d][1,3]oxazin-4-one (7033-51-4)

Guidance literature:

With sodium hydroxide; sode de l'acide trichloroisocyanurique; In methanol;

DOI:10.1039/P19930000511

Reference yield: 4.0%

methanol (67-56-1) + 6-chloro-2-phenylquinolin-4(1H)-one (112182-50-0) → methyl 2-benzamido-5-chlorobenzoate (100865-38-1) + 2-benzamido-5-chlorobenzoic acid (19407-45-5) + (5-chlorobenzo[c]isoxazol-3-yl)(phenyl)methanone + 6-chloro-2-phenyl-benzo[d][1,3]oxazin-4-one (7033-51-4)

Guidance literature:

With sodium hydroxide; sode de l'acide trichloroisocyanurique;

DOI:10.1039/P19930000511

Reference yield:

→ methyl 2-benzamido-5-chlorobenzoate (100865-38-1)

Guidance literature:

5-Chlor-anthranilsaeure-methylester, Benzoylchlorid, Bzl., Sieden;

upstream raw materials:

methanol

6-chloro-2-phenylquinolin-4(1H)-one

Downstream raw materials:

chloro-6 phenyl-2 benzothiazine-3,1 thione-4

6-chloro-2-phenyl-benzo[d][1,3]thiazin-4-one

6-chloro-2-phenyl-benzo[d][1,3]oxazin-4-one

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