Methyl 2-(1,3-benzoxazol-2-yl)benzoate

Base Information

• Chemical Name: Methyl 2-(1,3-benzoxazol-2-yl)benzoate
• CAS No.: 92533-24-9
• Molecular Formula: C15H11NO3
• Molecular Weight: 253.25300
• DSSTox Substance ID: DTXSID30578989
• Wikidata: Q82469359

Synonyms:92533-24-9;Methyl 2-(benzo[d]oxazol-2-yl)benzoate;Methyl 2-(1,3-benzoxazol-2-yl)benzoate;SCHEMBL694337;DTXSID30578989

Chemical Property of Methyl 2-(1,3-benzoxazol-2-yl)benzoate

Chemical Property:

• PSA: 52.33000
• LogP: 3.28140
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 253.07389321
• Heavy Atom Count: 19
• Complexity: 333

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=CC=C1C2=NC3=CC=CC=C3O2

Technology Process of Methyl 2-(1,3-benzoxazol-2-yl)benzoate

There total 5 articles about Methyl 2-(1,3-benzoxazol-2-yl)benzoate 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: 83.0%

methyl 2-(3-oxo-1,3-dihydro-2,1-benzisoxazol-1-ylcarbonyl)benzoate → 2-benzooxazol-2-yl-benzoic acid methyl ester (92533-24-9)

Guidance literature:

at 590 ℃; for 1.5h; under 0.05 Torr;

DOI:10.1071/CH99037

Reference yield: 79.0%

benzoxazole (273-53-0,29791-96-6) + 2-bromobenzoic acid methyl ester (610-94-6) → 2-benzooxazol-2-yl-benzoic acid methyl ester (92533-24-9)

Guidance literature:

With caesium carbonate; PdCl(C₃H₅)(dppb); In N,N-dimethyl-formamide; at 100 ℃; for 20h;

DOI:10.1016/j.jorganchem.2007.10.028

Reference yield: 42.0%

methyl 2-(1H-benzo[d][1,2,3]triazole-1-carbonyl)benzoate → 2-benzooxazol-2-yl-benzoic acid methyl ester (92533-24-9)

Guidance literature:

at 700 ℃; for 1h; under 0.05 Torr;

DOI:10.1071/CH99037

upstream raw materials:

benzoxazole

2-bromobenzoic acid methyl ester

1,2,3-Benzotriazole

phthalic monoacid monomethyl ester chloride

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