3-Benzoyl-2-naphthoic acid

Base Information

• Chemical Name: 3-Benzoyl-2-naphthoic acid
• CAS No.: 38119-08-3
• Molecular Formula: C18H12 O3
• Molecular Weight: 276.291
• Hs Code.: 2918300090
• European Community (EC) Number: 253-786-4
• UNII: U18XME6NZS
• DSSTox Substance ID: DTXSID1068067
• Nikkaji Number: J89.205J
• Wikidata: Q81994769
• Mol file: 38119-08-3.mol

Synonyms:3-Benzoyl-2-naphthoic acid;38119-08-3;3-benzoylnaphthalene-2-carboxylic acid;2-Naphthalenecarboxylic acid, 3-benzoyl-;U18XME6NZS;EINECS 253-786-4;UNII-U18XME6NZS;SCHEMBL7821719;DTXSID1068067;FT-0736326;3-BENZOYL-2-NAPHTHALENECARBOXYLIC ACID

Chemical Property of 3-Benzoyl-2-naphthoic acid

Chemical Property:

• Vapor Pressure: 9.93E-11mmHg at 25°C
• Boiling Point: 497.8°Cat760mmHg
• Flash Point: 269°C
• PSA: 54.37000
• Density: 1.289g/cm³
• LogP: 3.76900
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 276.078644241
• Heavy Atom Count: 21
• Complexity: 397

Purity/Quality:

98%Min ^*data from raw suppliers

3-BENZOYL-2-NAPHTHOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC3=CC=CC=C3C=C2C(=O)O

Technology Process of 3-Benzoyl-2-naphthoic acid

There total 10 articles about 3-Benzoyl-2-naphthoic 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%

2,3-Naphthalenedicarboxylic anhydride (716-39-2) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 3-benzoyl-2-naphthoic acid (38119-08-3)

Guidance literature:

With aluminium trichloride; at 85 - 90 ℃;

DOI:10.1021/jo0601314

Reference yield: 55.0%

ethyl 3-benzoylpropanoate (6270-17-3) + o-phthalic dicarboxaldehyde (643-79-8) → 3-benzoyl-2-naphthoic acid (38119-08-3)

Guidance literature:

ethyl 3-benzoylpropanoate; o-phthalic dicarboxaldehyde; With potassium tert-butylate; In ethanol; at 20 ℃;

With hydrogenchloride; In ethanol; water;

Reference yield:

Benzoylformic acid (611-73-4) + naphthalene-2-carboxylate (93-09-4) → 3-benzoyl-2-naphthoic acid (38119-08-3)

Guidance literature:

With palladium(II) trifluoroacetate; silver carbonate; In 1,2-dimethoxyethane; at 150 - 165 ℃; regioselective reaction;

DOI:10.1055/s-0035-1560579

upstream raw materials:

2,3-Naphthalenedicarboxylic anhydride

benzene

methanol

sodium methylate

Downstream raw materials:

5,12-naphthacenequinone

3-benzyl-[2]naphthoic acid

1,3-dihydro-3-phenylnaphtho[2,3-c]-furan-1-one

1,3-diphenylnaphtho[2,3-c]furan

Refernces

• 1、 -. "Phenyl substituted pyridazine structure unit containing compounds and methods for their preparation and use". Paragraph 0088-0089. . Retrieved 2016/11/17.