2-(5-Chloronaphthalene-1-carbonyl)benzoic acid

Base Information

• Chemical Name: 2-(5-Chloronaphthalene-1-carbonyl)benzoic acid
• CAS No.: 5018-89-3
• Molecular Formula: C18H11ClO3
• Molecular Weight: 310.7311
• NSC Number: 171449
• DSSTox Substance ID: DTXSID50305673
• Wikidata: Q82052395

Synonyms:5018-89-3;2-(5-chloronaphthalene-1-carbonyl)benzoic acid;NSC171449;DTXSID50305673;NSC-171449

Chemical Property of 2-(5-Chloronaphthalene-1-carbonyl)benzoic acid

Chemical Property:

• Vapor Pressure: 5.29E-13mmHg at 25°C
• Boiling Point: 551.6°Cat760mmHg
• Flash Point: 287.4°C
• Density: 1.374g/cm³
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 310.0396719
• Heavy Atom Count: 22
• Complexity: 436

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)C2=CC=CC3=C2C=CC=C3Cl)C(=O)O

Technology Process of 2-(5-Chloronaphthalene-1-carbonyl)benzoic acid

There total 5 articles about 2-(5-Chloronaphthalene-1-carbonyl)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:

2-(naphthalene-1-carbonyl)-benzoic acid (5018-87-1) → 2-(5-chloro-[1]naphthoyl)-benzoic acid (5018-89-3)

Guidance literature:

With chlorine; acetic acid; at 115 ℃;

DOI:10.1021/ja01347a040

Reference yield:

→ 2-(5-chloro-[1]naphthoyl)-benzoic acid (5018-89-3)

Guidance literature:

With hydrogenchloride; copper(l) chloride;

Reference yield:

phthalic anhydride (85-44-9) + 1-Bromo-5-chloronaphthalene (77332-65-1) → 2-(5-chloro-[1]naphthoyl)-benzoic acid (5018-89-3)

Guidance literature:

Multistep reaction; (i) Mg, Et₂O, benzene, (ii) /BRN= 118515/;

DOI:10.1021/jm00316a045

upstream raw materials:

2-(naphthalene-1-carbonyl)-benzoic acid

phthalic anhydride

1-Bromo-5-chloronaphthalene

chlorine

Downstream raw materials:

o-(5-Chloro-1-naphthylmethyl)-benzoic acid

o-(5-Chloro-1-naphthylmethyl)-acetophenone

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