4-Benzylbiphenyl

Base Information

• Chemical Name: 4-Benzylbiphenyl
• CAS No.: 613-42-3
• Molecular Formula: C19H16
• Molecular Weight: 244.336
• Hs Code.: 2902909090
• European Community (EC) Number: 210-341-9
• NSC Number: 59812
• UNII: 7NM7FB925T
• DSSTox Substance ID: DTXSID50210197
• Nikkaji Number: J60.902A
• Wikidata: Q72440792
• Mol file: 613-42-3.mol

Synonyms:4-Benzylbiphenyl;613-42-3;1-benzyl-4-phenylbenzene;Benzylbiphenyl;p-benzylbiphenyl;4-(Phenylmethyl)-1,1'-biphenyl;4-Phenyldiphenylmethane;1,1'-Biphenyl, 4-(phenylmethyl)-;p-Biphenylylphenylmethane;4-Benzyl-1,1'-biphenyl;7NM7FB925T;EINECS 210-341-9;NSC 59812;NSC-59812;NSC59812;PBBP;1, 4-(phenylmethyl)-;4-Benzyl-1 1'-biphenyl;UNII-7NM7FB925T;BIPHENYL, 4-BENZYL-;4-Benzyl-1,1'-biphenyl #;AGPLQTQFIZBOLI-UHFFFAOYSA-;DTXSID50210197;4-(Phenylmethyl)-1,1'-diphenyl;1,1'-bifenil, 4-(fenilmetil)-;AMY38639;MFCD00041831;STK011799;Biphenyl 4-benzyl-(6CI 7CI 8CI);AKOS005376739;AC-13473;AS-46995;B1519;CS-0206856;FT-0617647;F11162;A833175;W-109572;4-(2-CHLORO-PHENYL)-3-OXO-BUTYRICACIDETHYLESTER

Chemical Property of 4-Benzylbiphenyl

Chemical Property:

• Appearance/Colour: white fine powder
• Melting Point: 85-87 °C(lit.)
• Refractive Index: 1.5839 (estimate)
• Boiling Point: 285-286°C 110mm
• Flash Point: 208°C
• PSA: 0.00000
• Density: 1.1710
• LogP: 4.94440
• Solubility.: soluble in Benzene
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 244.125200510
• Heavy Atom Count: 19
• Complexity: 237

Purity/Quality:

99.5% ^*data from raw suppliers

4-Benzylbiphenyl ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC2=CC=C(C=C2)C3=CC=CC=C3

Technology Process of 4-Benzylbiphenyl

There total 100 articles about 4-Benzylbiphenyl 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: 98.0%

phenyl benzyl ketone (451-40-1) + 4-bromo-1,1'-biphenyl (92-66-0) → 4-benzylbiphenyl (613-42-3)

Guidance literature:

With sodium hydroxide; tetrabutylammomium bromide; palladium dichloride; In water; at 130 - 160 ℃; for 1h; Microwave irradiation;

DOI:10.1021/ol900874z

Reference yield: 98.0%

4-biphenylboronic acid (5122-94-1) + benzyl bromide (100-39-0) → 4-benzylbiphenyl (613-42-3)

Guidance literature:

With C₃₅H₂₉N₂O₂PPd; sodium carbonate; In tetrahydrofuran; water; at 60 ℃; Inert atmosphere;

DOI:10.1021/om2002443

Reference yield: 96.0%

phenylboronic acid (98-80-6) → 4-benzylbiphenyl (613-42-3)

Guidance literature:

Merrifield resin-CH₂O(CH₂)4S-CH₂C₆H₄-Ph-4; With triethyloxonium fluoroborate; In dichloromethane; at 20 ℃; for 8h;

phenylboronic acid; With potassium carbonate; [1,1'-bis(diphenylphosphino)ferrocene]dichloropalladium(II); In tetrahydrofuran; at 60 ℃; for 14h;

DOI:10.1002/(SICI)1521-3773(20000502)39:9<1679::AID-ANIE1679>3.0.CO;2-4

upstream raw materials:

Diethylene glycol monobutyl ether

4-phenyl-benzophenone-hydrazone

Natrium-[2-(2-butoxy-aethoxy)-aethylat]

biphenyl-4-yl-phenyl-methanone

Downstream raw materials:

1-(4'-benzyl-biphenyl-4-yl)-ethanone

biphenyl

Diphenylmethane

biphenyl-4-yl-phenyl-methanone

Refernces

• 1、 Wang, Wei,Yao, Ken,Wu, Fan. "Nickel-Catalyzed Reductive Cross-Coupling of Benzylic Sulfonium Salts with Aryl Iodides". supporting information. p. 361 - 366. Retrieved 2022/03/07.
• 2、 Chen, Yuegang,Wang, Xin,He, Xu,An, Qing,Zuo, Zhiwei. "Photocatalytic Dehydroxymethylative Arylation by Synergistic Cerium and Nickel Catalysis". supporting information. p. 4896 - 4902. Retrieved 2021/05/04.