3-Phenylbenzaldehyde

Base Information

• Chemical Name: 3-Phenylbenzaldehyde
• CAS No.: 1204-60-0
• Molecular Formula: C13H10O
• Molecular Weight: 182.222
• Hs Code.: 2912299000
• European Community (EC) Number: 631-396-9
• UNII: 6NCQ7DH7HK
• DSSTox Substance ID: DTXSID70152848
• Nikkaji Number: J847.239D
• Wikidata: Q72501311
• ChEMBL ID: CHEMBL125657
• Mol file: 1204-60-0.mol

Synonyms:3-Phenylbenzaldehyde;1204-60-0;[1,1'-biphenyl]-3-carbaldehyde;Biphenyl-3-carbaldehyde;BIPHENYL-3-CARBOXALDEHYDE;3-Difenilaldeide;3-FORMYLBIPHENYL;3-Biphenyl carboxaldehyde;3-Difenilaldeide [Italian];1,1'-biphenyl-3-carbaldehyde;CCRIS 3164;3-biphenylcarboxaldehyde;(1,1'-Biphenyl)-3-carboxaldehyde;MFCD01740432;6NCQ7DH7HK;BRN 2435839;[1,1'-BIPHENYL]-3-CARBOXALDEHYDE;3-Phenyl benzaldehyde;3-phenyl-benzaldehyde;3-(Phenyl)benzaldehyde;UNII-6NCQ7DH7HK;SCHEMBL97618;CHEMBL125657;[1,1-Biphenyl]-3-carbaldehyde;Biphenyl-3-carboxaldehyde, 96%;DTXSID70152848;(1,1-Biphenyl)-3-carboxaldehyde;AMY32979;AKOS000124601;AB09890;PS-8525;LS-44220;SY004293;3-Biphenylcarboxaldehyde (6CI,7CI,8CI);B4186;CS-0128849;FT-0633482;EN300-50981;A804511;J-513053;F1371-0199;Z363993468

Chemical Property of 3-Phenylbenzaldehyde

Chemical Property:

• Vapor Pressure: 0.000156mmHg at 25°C
• Melting Point: 167-168 °C
• Refractive Index: 1.608
• Boiling Point: 331.418 °C at 760 mmHg
• Flash Point: 192.047 °C
• PSA: 17.07000
• Density: 1.095 g/cm³
• LogP: 3.16610
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Air Sensitive
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 182.073164938
• Heavy Atom Count: 14
• Complexity: 182

Purity/Quality:

99% ^*data from raw suppliers

3-Phenylbenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22-36/37/38
• Safety Statements: 36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 3-Phenylbenzaldehyde

There total 51 articles about 3-Phenylbenzaldehyde 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%

bromobenzene (108-86-1,52753-63-6) + 3-Formylphenylboronic acid (87199-16-4) → biphenyl-3-carbaldehyde (1204-60-0)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In ethanol; toluene; at 100 ℃; for 0.5h; Microwave irradiation;

DOI:10.1021/jm400739u

Reference yield: 99.0%

m-iodobenzaldehyde (696-41-3) + phenylboronic acid (98-80-6) → biphenyl-3-carbaldehyde (1204-60-0)

Guidance literature:

With potassium carbonate; In ethanol; water; at 50 ℃; for 19h; Catalytic behavior;

DOI:10.1002/cctc.201500408

Reference yield: 99.0%

iodobenzene (591-50-4) + 3-Formylphenylboronic acid (87199-16-4) → biphenyl-3-carbaldehyde (1204-60-0)

Guidance literature:

With copper; potassium carbonate; In various solvent(s); at 110 ℃; for 12h;

DOI:10.1016/j.tet.2008.02.068

upstream raw materials:

3-(bromomethyl)-1,1'-biphenyl

3-phenyl-benzyl alcohol

Biphenyl-3-carboselenoic acid Se-phenyl ester

3-phenyl-5,6-dihydrobenzaldehyde

Downstream raw materials:

(+/-)-Hydroxy-phenyl-(biphenylyl-⁽³⁾)-methan

[C₆H₅C₆H₄CH(CH₂CH₃)S]2

3-phenyl-benzyl alcohol

C₂₂H₁₉N₃O₃

Refernces

• 1、 Alamgholiloo, Hassan,Noroozi Pesyan, Nader,Rostamnia, Sadegh. "Extended architectures constructed of thiourea-modified SBA-15 nanoreactor: A versatile new support for the fabrication of palladium pre-catalyst". . . Retrieved 2020.
• 2、 Bivona, Lucia Anna,Giacalone, Francesco,Vaccaro, Luigi,Aprile, Carmela,Gruttadauria, Michelangelo. "Cross-Linked Thiazolidine Network as Support for Palladium: A New Catalyst for Suzuki and Heck Reactions". . p. 2526 - 2533. Retrieved 2015.
• 3、 Boruah, Preeti Rekha,Ali, Abdul Aziz,Chetia, Mitali,Saikia, Bishwajit,Sarma, Diganta. "Pd(OAc)2 in WERSA: A novel green catalytic system for Suzuki-Miyaura cross-coupling reactions at room temperature". . p. 11489 - 11492. Retrieved 2015.
• 4、 Fortun,Beauclair,Schmitzer. "Metformin as a versatile ligand for recyclable palladium-catalyzed cross-coupling reactions in neat water". . p. 21036 - 21044. Retrieved 2017.
• 5、 Dhara, Koushik,Sarkar, Krishanu,Srimani, Dipankar,Saha, Subrata Kumar,Chattopadhyay, Pabitra,Bhaumik, Asim. "A new functionalized mesoporous matrix supported Pd(ii)-Schiff base complex: An efficient catalyst for the Suzuki-Miyaura coupling reaction". . p. 6395 - 6402. Retrieved 2010.
• 6、 Charbonneau, Mathieu,Addoumieh, George,Oguadinma, Paul,Schmitzer, Andreea R.. "Support-free palladium-NHC catalyst for highly recyclable heterogeneous suzuki-miyaura coupling in neat water". . p. 6544 - 6549. Retrieved 2014.
• 7、 Saikia, Bishwajit,Boruah, Preeti Rekha,Ali, Abdul Aziz,Sarma, Diganta. "'On-water' organic synthesis: A green, highly efficient, low cost and reusable catalyst system for biaryl synthesis under aerobic conditions at room temperature". . p. 50655 - 50659. Retrieved 2015.
• 8、 Fakhri, Akram,Naghipour, Ali. "Organometallic polymer-functionalized Fe3O4 nanoparticles as a highly efficient and eco-friendly nanocatalyst for C–C bond formation". . p. 463 - 472. Retrieved 2018.
• 9、 Kazmaier, Uli,H?hn, Saskia,Weiss, Torsten D.,Kautenburger, Ralf,Maier, Wilhelm F.. "Palladium-doped mixed oxides as 'slow-release' catalysts for suzuki couplings". . p. 2579 - 2583. Retrieved 2007.
• 10、 Alizadeh,Khodaei,Kordestani,Beygzadeh. "Highly efficient phosphine-free Suzuki aryl couplings mediated by an in situ generated Pd(OAc)2/metformin complex in green media". . p. 291 - 294. Retrieved 2013.