3-(4-Chlorophenyl)benzaldehyde

Base Information

• Chemical Name: 3-(4-Chlorophenyl)benzaldehyde
• CAS No.: 139502-80-0
• Molecular Formula: C13H9ClO
• Molecular Weight: 216.667
• Hs Code.: 2913000090
• European Community (EC) Number: 622-533-3
• DSSTox Substance ID: DTXSID50362741
• Nikkaji Number: J1.646.502J
• Wikidata: Q82146108
• ChEMBL ID: CHEMBL4435908
• Mol file: 139502-80-0.mol

Synonyms:139502-80-0;3-(4-Chlorophenyl)benzaldehyde;4'-Chlorobiphenyl-3-carbaldehyde;4'-Chloro-[1,1'-biphenyl]-3-carbaldehyde;4'-chloro[1,1'-biphenyl]-3-carbaldehyde;[1,1'-Biphenyl]-3-carboxaldehyde, 4'-chloro-;4/'-CHLOROBIPHENYL-3-CARBALDEHYDE;4'-Chloro-[1,1'-biphenyl]-3-carboxaldehyde;[1,1'-Biphenyl]-3-carboxaldehyde,4'-chloro-;3-Formyl-4'-chlorobiphenyl;SCHEMBL184896;CHEMBL4435908;DTXSID50362741;4'-Chloro-biphenyl-3-carboxaldehyde;MFCD03424622;3-(4-Chlorophenyl)benzaldehyde 97%;AKOS002683523;3-(4-Chlorophenyl)benzaldehyde, 97%;AS-2143;BB 0222409;CS-0216164;FT-0643309;EN300-352302;W18872;A807550;J-007284;Z732812888

Chemical Property of 3-(4-Chlorophenyl)benzaldehyde

Chemical Property:

• Melting Point: 56-60 °C
• Boiling Point: 358.9 °C at 760 mmHg
• Flash Point: 185.6 °C
• PSA: 17.07000
• Density: 1.214 g/cm³
• LogP: 3.81950
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 216.0341926
• Heavy Atom Count: 15
• Complexity: 209

Purity/Quality:

98%min ^*data from raw suppliers

4''-Chloro[1,1''-biphenyl]-3-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn； Xi； N
• Hazard Codes: Xn,N,Xi
• Statements: 22-36/37/38-51/53
• Safety Statements: 26-36/37-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 3-(4-Chlorophenyl)benzaldehyde

There total 7 articles about 3-(4-Chlorophenyl)benzaldehyde 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: 97.0%

m-bromobenzoic aldehyde (3132-99-8) + 4-Chlorophenylboronic acid (1679-18-1) → 4'-chloro-[1,1'-biphenyl]-3-carbaldehyde (139502-80-0)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; sodium carbonate; In 1,4-dioxane; at 100 ℃; for 3h; Inert atmosphere;

DOI:10.1002/cmdc.201600327

Reference yield: 80.0%

(E)-2-(4-chlorostyryl)oxirane → 4'-chloro-[1,1'-biphenyl]-3-carbaldehyde (139502-80-0)

Guidance literature:

With toluene-4-sulfonic acid; triethylamine; In 1,3,5-trimethyl-benzene; at 200 ℃; for 1h; Microwave irradiation;

DOI:10.1039/c9cc09262e

Reference yield: 60.0%

m-bromobenzoic aldehyde (3132-99-8) + C16H36N(1+)*C6H4BClF3(1-) → 4'-chloro-[1,1'-biphenyl]-3-carbaldehyde (139502-80-0)

Guidance literature:

With caesium carbonate; 1,4-di(diphenylphosphino)-butane; palladium diacetate; In 1,2-dimethoxyethane; water; at 50 ℃; for 24h;

DOI:10.1016/S0040-4039(01)01983-9

upstream raw materials:

m-bromobenzoic aldehyde

4-Chlorophenylboronic acid

(E)-4-chlorocinnamic aldehyde

Downstream raw materials:

N-benzyl-3-chloro-5-(N-((4'-chlorobiphenyl-3-yl)methyl)-N-(4-fluorobenzyl)sulfamoyl)-4-hydroxybenzamide

3-chloro-N-((4'-chlorobiphenyl-3-yl)methyl)-N-(4-fluorobenzyl)-2-hydroxy-5-(trifluoromethyl)benzenesulfonamide

3-chloro-5-(N-((4'-chlorobiphenyl-3-yl)methyl)-N-(4-fluorobenzyl)sulfamoyl)-4-hydroxybenzoic acid

3-chloro-5-(N-((4'-chlorobiphenyl-3-yl)methyl)-N-(4-fluorobenzyl)sulfamoyl)-4-hydroxybenzoyl chloride

Refernces

• 1、 Zhang, Wei,Yao, Zi-Jian,Deng, Wei. "Palladium Palladium Nanoparticles Nanoparticles Supported Supported on β-cyclodextrin on β-Cyclodextrin Functionalised Functionalized Poly(amido Poly(amidoamine)s amine)s and their and Application Their Application in Suzuki-Miyaura in Suzuki-Miyaura Cross-Coupling Cross-Coupling Reactions Reactions". . p. 1667 - 1677. Retrieved 2019/10/01.
• 2、 Carrasco, Marta P.,Machado, Marta,Gon?alves, Lídia,Sharma, Moni,Gut, Jiri,Lukens, Amanda K.,Wirth, Dyann F.,André, Vania,Duarte, Maria Teresa,Guedes, Rita C.,dos Santos, Daniel J. V. A.,Rosenthal, Philip J.,Mazitschek, Ralph,Prudêncio, Miguel,Moreira, Rui. "Probing the Azaaurone Scaffold against the Hepatic and Erythrocytic Stages of Malaria Parasites". supporting information. p. 2194 - 2204. Retrieved 2016/10/19.