2-(4-Methoxybenzoyl)benzoic acid

Base Information

• Chemical Name: 2-(4-Methoxybenzoyl)benzoic acid
• CAS No.: 1151-15-1
• Molecular Formula: C15H12O4
• Molecular Weight: 256.258
• Hs Code.: 2918990090
• European Community (EC) Number: 630-234-4
• NSC Number: 28925
• UNII: 92G674420E
• DSSTox Substance ID: DTXSID40282944
• Nikkaji Number: J103.339E
• Wikidata: Q27271505
• Metabolomics Workbench ID: 45622
• ChEMBL ID: CHEMBL83221
• Mol file: 1151-15-1.mol

Synonyms:2-(4-Methoxybenzoyl)benzoic acid;1151-15-1;o-(p-Anisoyl)benzoic acid;2-(4-methoxybenzoyl)benzenecarboxylic acid;2-(4-Methoxy-benzoyl)-benzoic acid;o-(4-Methoxybenzoyl)benzoic acid;2-[(4-methoxyphenyl)carbonyl]benzoic acid;Benzoic acid, 2-(4-methoxybenzoyl)-;NSC-28925;Benzoic acid, o-(p-anisoyl)-;4'-Methoxy-2-benzoylbenzoic acid;Benzoic acid,2-(4-methoxybenzoyl)-;4'-Methoxybenzophenone-2-carboxylic acid;CHEMBL83221;UNII-92G674420E;S 23/46;S-23/46;Benzophenone, 2-carboxy-4'-methoxy-;92G674420E;2-(4-Methoxybenzoyl)-Benzoic acid;Maybridge1_003288;O-(p-Anisoyl)-Benzoic acid;Oprea1_345600;Oprea1_501781;SCHEMBL238088;(4-Methoxybenzoyl)benzoic acid;2-(4-Methoxybenzoyl)benzoicacid;HMS550N10;DTXSID40282944;CHEBI:174360;2-(4-methoxybenzoyl) benzoic acid;2-Carboxy-4'-methoxy-Benzophenone;BAA15115;NSC28925;BBL011986;BDBM50145838;MFCD00278217;STK258696;AKOS000301153;O-(P-ANISOYL)BENZOIC ACID [MI];BB 0216635;CS-0232840;FT-0676650;EN300-129061;5Y-1181;J-506028;Q27271505;Z111686158

Chemical Property of 2-(4-Methoxybenzoyl)benzoic acid

Chemical Property:

• Vapor Pressure: 6.25E-10mmHg at 25°C
• Melting Point: 147-148 °C
• Refractive Index: 1.598
• Boiling Point: 477.6 °C at 760 mmHg
• PKA: 3.34±0.36(Predicted)
• Flash Point: 183.5 °C
• PSA: 63.60000
• Density: 1.255 g/cm³
• LogP: 2.62440
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 256.07355886
• Heavy Atom Count: 19
• Complexity: 331

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(4-Methoxybenzoyl)benzenecarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O

Technology Process of 2-(4-Methoxybenzoyl)benzoic acid

There total 26 articles about 2-(4-Methoxybenzoyl)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: 100.0%

methyl 2-(4-methoxybenzoyl)benzoate (5449-71-8) → 2-(4-methoxybenzoyl)benzoic acid (1151-15-1)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; water; at 50 ℃; for 2.5h;

DOI:10.1021/ja00213a032

Reference yield: 90.0%

phthalic anhydride (85-44-9) + methoxybenzene (100-66-3) → 2-(4-methoxybenzoyl)benzoic acid (1151-15-1)

Guidance literature:

With aluminium trichloride; at 90 ℃; for 4h;

DOI:10.1080/00304949609458573

Reference yield: 80.0%

phthalic anhydride (85-44-9) → 2-(4-methoxybenzoyl)benzoic acid (1151-15-1)

Guidance literature:

With hydrogenchloride; aluminium trichloride; In sodium carbonate; methoxybenzene; benzene;

upstream raw materials:

phthalic anhydride

methoxybenzene

4-methoxyphenyl magnesium bromide

benzene

Downstream raw materials:

3-methoxy-3-(4-methoxy-phenyl)-3H-isobenzofuran-1-one

(methoxy-4' phenyl)-3 phenyl-3 dihydro-1,3 isobenzofurannone-1

(2-benzoylphenyl)(4-methoxyphenyl)methanone

3-(4-methoxyphenyl)phthalide

Refernces

• 1、 Zhang, Nana,Yu, Qingzhen,Chen, Ruixue,Huang, Jianhui,Xia, Yeqing,Zhao, Kang. "Synthesis of biaryl imino/keto carboxylic acids via aryl amide directed C-H activation reaction". . p. 9464 - 9466. Retrieved 2013.
• 2、 Wang, Yabai,Yang, Shiwei,Bian, Guangling,Song, Ling. "A Novel Three-Step Tandem Reaction for Efficient Syntheses of Bulky Anthracenyl Esters from 2-Benzylbenzoic Acids". . p. 1884 - 1888. Retrieved 2017.
• 3、 Rahman, Mohammed T.,Nahar, Syeda K.. "The reaction of arylcoppermagnesium and other organometallic reagents with phthalic anhydride". . p. 201 - 208. Retrieved 1992.
• 4、 Maskey, Rezisha,Bendel, Christoph,Malzacher, Jonas,Greb, Lutz. "Completing the Redox-Series of Silicon Trisdioxolene: ortho-Quinone and Lewis Superacid Make a Powerful Redox Catalyst". . p. 17386 - 17389. Retrieved 2020.
• 5、 Sakram, Boda,Ravi, Dharavath,Raghupathi, Mutyala,Kumar, Boda Sathish,Anantha Lakshmi. "A facile greener synthesis, antimicrobial evaluation and molecular modelling of new 4-aryl-2-(3-(2-(trifluoromethyl)phenyl)-1,8-naphthyridin-2-yl)phthalazin-1(2H)-one derivatives". . p. 2007 - 2022. Retrieved 2019/01/10.