4-[(2-Chlorobenzyl)oxy]-3-methoxybenzoic acid

Base Information

• Chemical Name: 4-[(2-Chlorobenzyl)oxy]-3-methoxybenzoic acid
• CAS No.: 113457-27-5
• Molecular Formula: C15H13 Cl O4
• Molecular Weight: 292.719
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID90358229
• Wikidata: Q82138656
• Mol file: 113457-27-5.mol

Synonyms:113457-27-5;4-[(2-chlorobenzyl)oxy]-3-methoxybenzoic acid;4-[(2-chlorophenyl)methoxy]-3-methoxybenzoic acid;4-(2-Chloro-benzyloxy)-3-methoxy-benzoic acid;4-((2-Chlorobenzyl)oxy)-3-methoxybenzoic acid;Oprea1_315307;SCHEMBL5300850;DTXSID90358229;BBL008037;MFCD02628391;STK011098;AKOS000199406;VS-01794;BB 0245798;FT-0679466;4-[(2-Chlorobenzyl)oxy]-3-methoxybenzoicacid;EN300-04046;4-(2-Chloro-benzyloxy)-3-methoxy-benzoic acid;SR-01000234201;SR-01000234201-1;Z56858211;4-[(2-chlorobenzyl)oxy]-3-methoxybenzoic acid, AldrichCPR

Chemical Property of 4-[(2-Chlorobenzyl)oxy]-3-methoxybenzoic acid

Chemical Property:

• Vapor Pressure: 1.29E-08mmHg at 25°C
• Refractive Index: 1.597
• Boiling Point: 442.6°C at 760 mmHg
• PKA: 4.27±0.10(Predicted)
• Flash Point: 221.5°C
• PSA: 55.76000
• Density: 1.314g/cm³
• LogP: 3.62580
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 292.0502366
• Heavy Atom Count: 20
• Complexity: 323

Purity/Quality:

98%min ^*data from raw suppliers

4-[(2-Chlorobenzyl)oxy]-3-methoxybenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C(=O)O)OCC2=CC=CC=C2Cl

Technology Process of 4-[(2-Chlorobenzyl)oxy]-3-methoxybenzoic acid

There total 1 articles about 4-[(2-Chlorobenzyl)oxy]-3-methoxybenzoic acid 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-[(2-chloro-benzyl)oxy]-3-methoxy-benzoic acid (113457-27-5)

Guidance literature:

Reference yield: 18.0%

tert-butyl {2-[(2-thienylmethyl)amino]ethyl}carbamate (926025-94-7) + 4-[(2-chloro-benzyl)oxy]-3-methoxy-benzoic acid (113457-27-5) → tert-butyl {2-[{4-[(2-chlorobenzyl)oxy]-3-methoxybenzoyl}(2-thienylmethyl)amino]ethyl}-carbamate

Guidance literature:

4-[(2-chloro-benzyl)oxy]-3-methoxy-benzoic acid; With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20 ℃; for 2h;

tert-butyl {2-[(2-thienylmethyl)amino]ethyl}carbamate; In dichloromethane; at 20 ℃;

Refernces