4'-Ethylbiphenyl-4-carbonyl chloride

Base Information

• Chemical Name: 4'-Ethylbiphenyl-4-carbonyl chloride
• CAS No.: 92119-00-1
• Molecular Formula: C15H13ClO
• Molecular Weight: 244.721
• European Community (EC) Number: 673-224-5
• DSSTox Substance ID: DTXSID60374491
• Wikidata: Q82163110
• Mol file: 92119-00-1.mol

Synonyms:92119-00-1;4'-ethylbiphenyl-4-carbonyl chloride;4'-Ethyl-biphenyl-4-carbonyl chloride;4-(4-ethylphenyl)benzoyl chloride;[1,1'-biphenyl]-4-carbonyl chloride,4'-ethyl-;SCHEMBL7123177;DTXSID60374491;4'-Ethyl-biphenyl-4-carbonylchloride

Chemical Property of 4'-Ethylbiphenyl-4-carbonyl chloride

Chemical Property:

• PSA: 17.07000
• LogP: 4.29500
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 244.0654927
• Heavy Atom Count: 17
• Complexity: 248

Purity/Quality:

99% ^*data from raw suppliers

4'-Ethylbiphenyl-4-carbonylchloride 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)Cl

Technology Process of 4'-Ethylbiphenyl-4-carbonyl chloride

There total 3 articles about 4'-Ethylbiphenyl-4-carbonyl chloride 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:

4-(4-ethylphenyl)benzoic acid (5731-13-5) → 4′-ethyl-[1,1′-biphenyl]-4-carbonyl chloride (92119-00-1)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In tetrahydrofuran; dichloromethane; for 1h; Ambient temperature;

DOI:10.1021/jm970482y

Reference yield:

4-iodobenzoic acid (619-58-9) → 4′-ethyl-[1,1′-biphenyl]-4-carbonyl chloride (92119-00-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: trimethyl borate / diethyl ether / 0.5 h / Heating

1.2: 30 percent / NaOH; PdCl₂ / H₂O; diethyl ether / 1 h / Heating

2.1: SOCl₂ / 3 h / Heating

With thionyl chloride; Trimethyl borate; In diethyl ether;

DOI:10.1021/ja001562l

Reference yield:

p-ethylphenylmagnesium bromide (22873-28-5) → 4′-ethyl-[1,1′-biphenyl]-4-carbonyl chloride (92119-00-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: trimethyl borate / diethyl ether / 0.5 h / Heating

1.2: 30 percent / NaOH; PdCl₂ / H₂O; diethyl ether / 1 h / Heating

2.1: SOCl₂ / 3 h / Heating

With thionyl chloride; Trimethyl borate; In diethyl ether;

DOI:10.1021/ja001562l

upstream raw materials:

4-(4-ethylphenyl)benzoic acid

4-iodobenzoic acid

p-ethylphenylmagnesium bromide

Downstream raw materials:

ethyl 2-(6-chloro-2-(4'-ethyl-[1,1'-biphenyl]-4-carbonyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5(2H)-yl)acetate

ethyl 2-(2-(4′-ethyl-[1,1′-biphenyl]-4-carbonyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5(2H)-yl)acetate

Refernces

• 1、 Zheng, Min-Yan,Wei, Yong-Sheng,Geng, Wei,Guo, Nai-Ni,Zhang, Ping. "Synthesis of multiring azo-benzoic acid liquid crystalline molecules and their special photosensitive property". . p. 1 - 13. Retrieved 2015/03/18.
• 2、 Lucking,Tucci,Rudkevich,Rebek Jr.. "Self-folding cavitands of nanoscale dimensions". . p. 8880 - 8889. Retrieved 2007/10/03.