Ethyl biphenyl-3-carboxylate

Base Information

• Chemical Name: Ethyl biphenyl-3-carboxylate
• CAS No.: 19926-50-2
• Molecular Formula: C15H14O2
• Molecular Weight: 226.275
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID10378580
• Nikkaji Number: J354.722A
• Wikidata: Q63395329
• ChEMBL ID: CHEMBL4569361
• Mol file: 19926-50-2.mol

Synonyms:19926-50-2;ethyl biphenyl-3-carboxylate;ethyl 3-phenylbenzoate;ethyl [1,1'-biphenyl]-3-carboxylate;Biphenyl-3-carboxylic acid ethyl ester;3-Biphenylcarboxylic acid ethyl ester;CHEMBL4569361;MFCD00671950;ethyl 3-biphenylcarboxylate;[1,1'-Biphenyl]-3-carboxylic acid, ethyl ester;SCHEMBL2404818;3-phenylbenzoic acid ethyl ester;DTXSID10378580;BDBM50560086;Ethyl[1,1'-biphenyl]-3-carboxylate;AKOS015907906;PS-7763;CS-0206420;3-Biphenylcarboxylic acid ethyl ester, AldrichCPR;A834152;A879928;biphenyl-3-carboxylic acid ethyl ester 19926-50-2;Q63395329

Chemical Property of Ethyl biphenyl-3-carboxylate

Chemical Property:

• Vapor Pressure: 2.07E-05mmHg at 25°C
• Boiling Point: 361.4°C at 760 mmHg
• Flash Point: 165.6°C
• PSA: 26.30000
• Density: 1.082g/cm³
• LogP: 3.53030
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 226.099379685
• Heavy Atom Count: 17
• Complexity: 243

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl[1,1''-Biphenyl]-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=CC(=C1)C2=CC=CC=C2
• Clinical Use: Adjunct to diet and statin in hypertriglyceridaemia Adjunct to secondary prevention after a MI
• Drug interactions: Potentially hazardous interactions with other drugs Anticoagulants: may increase bleeding time.

Technology Process of Ethyl biphenyl-3-carboxylate

There total 20 articles about Ethyl biphenyl-3-carboxylate 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: 96.0%

iodobenzene (591-50-4) + [3-(ethoxycarbonyl)phenyl]boronic acid (4334-87-6) → biphenyl-3-carboxylic acid ethyl ester (19926-50-2)

Guidance literature:

With sodium carbonate; In water; N,N-dimethyl-formamide; at 90 ℃; for 0.25h;

DOI:10.3762/bjoc.7.41

Reference yield: 95.0%

ethyl 3-bromobenzoate (24398-88-7) + phenylmanganese(II) chloride (71478-47-2) → biphenyl-3-carboxylic acid ethyl ester (19926-50-2)

Guidance literature:

1,2-dimethoxyethane; bis(diphenylphosphino)propanepalladium(II) dichloride; In tetrahydrofuran; at 20 ℃; for 0.5h;

DOI:10.1016/S0022-328X(00)00891-3

Reference yield: 92.0%

bromobenzene (108-86-1,52753-63-6) + [3-(ethoxycarbonyl)phenyl]boronic acid (4334-87-6) → biphenyl-3-carboxylic acid ethyl ester (19926-50-2)

Guidance literature:

With sodium carbonate; In water; N,N-dimethyl-formamide; at 90 ℃; for 0.5h;

DOI:10.3762/bjoc.7.41

upstream raw materials:

ethanol

3-phenylbenzoic acid

bromobenzene

3-iodobenzoic acid methyl ester

Downstream raw materials:

3-phenyl-benzyl alcohol

3-biphenylylmethyl chloride

3-([1,1'-biphenyl]-3-yl)-3H-1,2,4-triazol-5-amine

3-phenylbenzoyl chloride

Refernces

• 1、 Borhade, Sanjay R.,Waghmode, Suresh B.. "Studies on Pd/NiFe2O4 catalyzed ligand-free Suzuki reaction in aqueous phase: Synthesis of biaryls, terphenyls and polyaryls". . p. 310 - 319. Retrieved 2011.
• 2、 Gavara, Laurent,Legru, Alice,Verdirosa, Federica,Sevaille, Laurent,Nauton, Lionel,Corsica, Giuseppina,Mercuri, Paola Sandra,Sannio, Filomena,Feller, Georges,Coulon, Rémi,De Luca, Filomena,Cerboni, Giulia,Tanfoni, Silvia,Chelini, Giulia,Galleni, Moreno,Docquier, Jean-Denis,Hernandez, Jean-Fran?ois. "4-Alkyl-1,2,4-triazole-3-thione analogues as metallo-β-lactamase inhibitors". supporting information. . Retrieved 2021/06/15.
• 3、 Baud, Damien,Bebrone, Carine,Becker, Katja,Benvenuti, Manuela,Cerboni, Giulia,Chelini, Giulia,Cutolo, Giuliano,De Luca, Filomena,Docquier, Jean-Denis,Feller, Georges,Fischer, Marina,Galleni, Moreno,Gavara, Laurent,Gresh, Nohad,Kwapien, Karolina,Legru, Alice,Mangani, Stefano,Mercuri, Paola,Pozzi, Cecilia,Sannio, Filomena,Sevaille, Laurent,Tanfoni, Silvia,Verdirosa, Federica,Berthomieu, Dorothée,Bestgen, Beno?t,Frère, Jean-Marie,Hernandez, Jean-Fran?ois. "4-Amino-1,2,4-triazole-3-thione-derived Schiff bases as metallo-β-lactamase inhibitors". supporting information. . Retrieved 2020/09/16.