4-[(3,4-Dichlorobenzyl)oxy]benzoic acid

Base Information

• Chemical Name: 4-[(3,4-Dichlorobenzyl)oxy]benzoic acid
• CAS No.: 56442-18-3
• Molecular Formula: C14H10 Cl2 O3
• Molecular Weight: 297.138
• Hs Code.: 2918990090
• European Community (EC) Number: 629-951-5
• DSSTox Substance ID: DTXSID50377451
• Wikidata: Q82166672
• ChEMBL ID: CHEMBL3278129
• Mol file: 56442-18-3.mol

Synonyms:56442-18-3;4-[(3,4-Dichlorobenzyl)oxy]benzenecarboxylic acid;4-[(3,4-dichlorophenyl)methoxy]benzoic Acid;4-[(3,4-dichlorobenzyl)oxy]benzoic acid;4-((3,4-Dichlorobenzyl)oxy)benzoic acid;SCHEMBL366521;CHEMBL3278129;DTXSID50377451;ZCGYVYRMBOFTPZ-UHFFFAOYSA-N;BBL013554;MFCD06200988;STK500259;AKOS005071222;4-(3,4-dichlorobenzyloxy)benzoic acid;4-((3,4-Dichlorobenzyl)oxy)benzoicacid;CS-0453636;FT-0679469;8X-0731;A869948;J-513147

Chemical Property of 4-[(3,4-Dichlorobenzyl)oxy]benzoic acid

Chemical Property:

• Vapor Pressure: 6.58E-09mmHg at 25°C
• Melting Point: 210-214°C
• Boiling Point: 450.6°Cat760mmHg
• PKA: 4.37±0.10(Predicted)
• Flash Point: 226.3°C
• PSA: 46.53000
• Density: 1.411g/cm³
• LogP: 4.27060
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 296.0006996
• Heavy Atom Count: 19
• Complexity: 303

Purity/Quality:

97% ^*data from raw suppliers

4-[(3,4-Dichlorobenzyl)oxy]benzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)O)OCC2=CC(=C(C=C2)Cl)Cl

Technology Process of 4-[(3,4-Dichlorobenzyl)oxy]benzoic acid

There total 5 articles about 4-[(3,4-Dichlorobenzyl)oxy]benzoic 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: 87.0%

4-(3,4-dichloro-benzyloxy)-benzoic acid methyl ester (84404-04-6) → 4-(3,4-dichlorobenzyloxy)benzoic acid (56442-18-3)

Guidance literature:

4-(3,4-dichloro-benzyloxy)-benzoic acid methyl ester; With water; lithium hydroxide; In tetrahydrofuran; for 4h; Reflux;

With hydrogenchloride; In water;

Reference yield:

4-(3,4-Dichlorbenzyloxy)-benzoesaeureaethylester (56441-58-8) → 4-(3,4-dichlorobenzyloxy)benzoic acid (56442-18-3)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/jm00221a007

Reference yield:

Ethyl 4-hydroxybenzoate (120-47-8) → 4-(3,4-dichlorobenzyloxy)benzoic acid (56442-18-3)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOEt

2: aq. NaOH

With sodium hydroxide; sodium ethanolate;

DOI:10.1021/jm00221a007

upstream raw materials:

4-(3,4-Dichlorbenzyloxy)-benzoesaeureaethylester

Ethyl 4-hydroxybenzoate

3,4-Dichlorophenylmethyl chloride

4-(3,4-dichloro-benzyloxy)-benzoic acid methyl ester

Downstream raw materials:

4-[(3,4-dichlorobenzyl)oxy]-N-(methylsulfonyl)benzamide

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