(3-Chlorophenyl)methyl 4-hydroxybenzoate

Base Information

• Chemical Name: (3-Chlorophenyl)methyl 4-hydroxybenzoate
• CAS No.: 85392-26-3
• Molecular Formula: C₁₄H₁₁ClO₃
• Molecular Weight: 262.693
• European Community (EC) Number: 286-885-6
• DSSTox Substance ID: DTXSID10234591
• Nikkaji Number: J310.412E
• Wikidata: Q83116406
• Mol file: 85392-26-3.mol

Synonyms:(3-Chlorophenyl)methyl 4-hydroxybenzoate;85392-26-3;3-Chlorobenzyl 4-hydroxybenzoate;EINECS 286-885-6;starbld0005943;SCHEMBL1129557;DTXSID10234591;AKOS002505158;NCGC00323251-01;AB01319164-02;4-Hydroxybenzoic acid (3-chlorophenyl)methyl ester;Z19674832

Chemical Property of (3-Chlorophenyl)methyl 4-hydroxybenzoate

Chemical Property:

• Vapor Pressure: 1.51E-07mmHg at 25°C
• Boiling Point: 417°C at 760 mmHg
• Flash Point: 206°C
• PSA: 46.53000
• Density: 1.323g/cm³
• LogP: 3.40260
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 262.0396719
• Heavy Atom Count: 18
• Complexity: 274

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (3-Chlorophenyl)methyl 4-hydroxybenzoate

There total 1 articles about (3-Chlorophenyl)methyl 4-hydroxybenzoate 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: 29.0%

1-Chloro-3-chloromethyl-benzene (620-20-2,130468-19-8) + 4-hydroxy-benzoic acid (99-96-7) → m-chlorobenzyl 4-hydroxybenzoate (85392-26-3)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; for 12h; Inert atmosphere;

DOI:10.1021/jacs.5b09308

Reference yield:

m-chlorobenzyl 4-hydroxybenzoate (85392-26-3) → 3-chlorobenzyl 4-fluorobenzoate

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 1 h / -78 - 20 °C / Sealed tube

2: cesium fluoride; [COD(Pd-AlPhos)₂] / toluene / 96 h / 20 °C / Inert atmosphere; Glovebox; Sealed tube

With [COD(Pd-AlPhos)₂]; triethylamine; cesium fluoride; In dichloromethane; toluene;

DOI:10.1021/jacs.5b09308

upstream raw materials:

1-Chloro-3-chloromethyl-benzene

4-hydroxy-benzoic acid