5-Bromo-2-[(4-chlorobenzyl)oxy]benzoic acid

Base Information

• Chemical Name: 5-Bromo-2-[(4-chlorobenzyl)oxy]benzoic acid
• CAS No.: 62176-36-7
• Molecular Formula: C14H10 Br Cl O3
• Molecular Weight: 341.589
• NSC Number: 292936
• DSSTox Substance ID: DTXSID80315184
• Wikidata: Q82068027
• Mol file: 62176-36-7.mol

Synonyms:62176-36-7;5-bromo-2-[(4-chlorobenzyl)oxy]benzoic acid;5-bromo-2-[(4-chlorophenyl)methoxy]benzoic acid;5-Bromo-2-((4-chlorobenzyl)oxy)benzoic acid;MFCD09717777;5-Bromo-2-((4-chlorophenyl)methoxy)benzoic acid;NSC292936;SCHEMBL1647846;DTXSID80315184;BBL036971;STK501009;AKOS005172024;NSC 292936;NSC-292936;VS-13804;5-bromo-2-(4-chlorobenzyloxy)benzoic acid;5-Bromo-2-((4-chlorobenzyl)oxy)benzoicacid;CS-0454391;FT-0679467;5-Bromo-2-{[(4-chlorophenyl)methyl]oxy}benzoic acid;5-Bromo-2-[(4-chlorobenzyl)oxy]benzoic acid, AldrichCPR

Chemical Property of 5-Bromo-2-[(4-chlorobenzyl)oxy]benzoic acid

Chemical Property:

• Vapor Pressure: 1.5E-09mmHg at 25°C
• Boiling Point: 467.7°C at 760 mmHg
• Flash Point: 236.7°C
• Density: 1.59g/cm³
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 339.95018
• Heavy Atom Count: 19
• Complexity: 305

Purity/Quality:

98%min ^*data from raw suppliers

5-Bromo-2-[(4-chlorobenzyl)oxy]benzoic acid Aldrich ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1COC2=C(C=C(C=C2)Br)C(=O)O)Cl

Technology Process of 5-Bromo-2-[(4-chlorobenzyl)oxy]benzoic acid

There total 3 articles about 5-Bromo-2-[(4-chlorobenzyl)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:

(4-chlorophenyl)methyl 5-bromo-2-{[(4-chlorophenyl)methyl]oxy}benzoate (1285515-99-2) → 5-bromo-2-{[(4-chlorophenyl)methyl]oxy}benzoic acid (62176-36-7)

Guidance literature:

(4-chlorophenyl)methyl 5-bromo-2-{[(4-chlorophenyl)methyl]oxy}benzoate; With water; lithium hydroxide; In tetrahydrofuran; at 20 ℃; for 16h;

With hydrogenchloride; In water; pH=2;

Reference yield:

5-bromosalicyclic acid (89-55-4) → 5-bromo-2-{[(4-chlorophenyl)methyl]oxy}benzoic acid (62176-36-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium carbonate / acetone / 18 h / 55 °C / Inert atmosphere

2.1: water; lithium hydroxide / tetrahydrofuran / 16 h / 20 °C

2.2: pH 2

With water; potassium carbonate; lithium hydroxide; In tetrahydrofuran; acetone;

Reference yield:

→ 5-bromo-2-{[(4-chlorophenyl)methyl]oxy}benzoic acid (62176-36-7)

Guidance literature:

Ethylester d. 5-Brom-salicylsaeure, 1) 4-ClC6H4CH2Cl, 2) Verseif.;

upstream raw materials:

5-bromosalicyclic acid

(4-chlorophenyl)methyl 5-bromo-2-{[(4-chlorophenyl)methyl]oxy}benzoate

Downstream raw materials:

5-bromo-2-{[(4-chlorophenyl)methyl]oxy}-N-3-pyridinylbenzamide

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