4-Isopropylbiphenyl

Base Information

• Chemical Name: 4-Isopropylbiphenyl
• CAS No.: 7116-95-2
• Molecular Formula: C15H16
• Molecular Weight: 196.292
• Hs Code.: 2902909090
• European Community (EC) Number: 230-420-1
• UNII: 4KBV29724I
• DSSTox Substance ID: DTXSID20883094
• Nikkaji Number: J227.381K
• Wikidata: Q27259867
• Mol file: 7116-95-2.mol

Synonyms:4-isopropylbiphenyl;isopropylbiphenyl;mono-isopropylbiphenyl

Chemical Property of 4-Isopropylbiphenyl

Chemical Property:

• Melting Point: 11oC
• Refractive Index: 1.5840
• Boiling Point: 293.9°Cat760mmHg
• Flash Point: 133.3°C
• PSA: 0.00000
• Density: 0.958g/cm³
• LogP: 4.47700
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 196.125200510
• Heavy Atom Count: 15
• Complexity: 169

Purity/Quality:

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

4-Isopropylbiphenyl ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Isopropylbiphenyl

There total 48 articles about 4-Isopropylbiphenyl 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: 94.0%

1-chloro-4-isopropylbenzene (2621-46-7) + phenylboronic acid (98-80-6) → 4-isopropylbiphenyl (7116-95-2)

Guidance literature:

With 3,3'-(3,4-bis(dichloromethylene)cyclobut-1-ene-1,2-diyl)bis(1-methyl-1H-imidazolium) bis(tetrafluoroborate); palladium diacetate; sodium t-butanolate; In toluene; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1039/c001362e

Reference yield: 92.0%

4-iodocumene (17356-09-1) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 4-isopropylbiphenyl (7116-95-2)

Guidance literature:

With potassium tert-butylate; N,N`-dimethylethylenediamine; at 80 ℃; sealed tube; Inert atmosphere;

DOI:10.1021/ja103050x

Reference yield: 88.0%

4-iodo-biphenyl (1591-31-7) + 1-isopropyl-2,4,6-triphenylpyridin-1-ium tetrafluoroborate salt (73086-84-7) → 4-isopropylbiphenyl (7116-95-2)

Guidance literature:

With [2,2]bipyridinyl; manganese; (1,2-dimethoxyethane)dichloronickel(II); In N,N-dimethyl acetamide; at 20 ℃;

DOI:10.1039/c9sc00783k

upstream raw materials:

Isopropylbenzene

phenyl radical

4-(propen-2-yl)biphenyl

2-biphenyl-4-yl-propan-2-ol

Downstream raw materials:

2-biphenyl-4-yl-propan-2-ol

p-cumenylphenol

biphenyl-4-carboxylic acid

2-(biphenyl-4-yl)-2-azidopropane

Refernces

• 1、 Cook, Adam,MacLean, Haydn,St. Onge, Piers,Newman, Stephen G.. "Nickel-catalyzed reductive deoxygenation of diverse C-O bond-bearing functional groups". . p. 13337 - 13347. Retrieved 2021/11/20.
• 2、 Zhao, Jianyou,Shen, Tong,Sun, Zhihui,Wang, Nengyong,Yang, Le,Wu, Jintao,You, Huichao,Liu, Zhong-Quan. "Site-Specific Oxidation of (sp3)C-C(sp3)/H Bonds by NaNO2/HCl". supporting information. p. 4057 - 4061. Retrieved 2021/05/26.