[1,1'-Biphenyl]-4-carbonyl chloride, 4'-heptyl-

Base Information

• Chemical Name: [1,1'-Biphenyl]-4-carbonyl chloride, 4'-heptyl-
• CAS No.: 58573-87-8
• Molecular Formula: C20H23 Cl O
• Molecular Weight: 314.85
• DSSTox Substance ID: DTXSID9069269
• Nikkaji Number: J429.374F
• Wikidata: Q81996112
• Mol file: 58573-87-8.mol

Synonyms:p-Heptylbiphenyl-p'-carbonyl chloride;58573-87-8;[1,1'-Biphenyl]-4-carbonyl chloride, 4'-heptyl-;(1,1'-Biphenyl)-4-carbonyl chloride, 4'-heptyl-;4-(4-heptylphenyl)benzoyl chloride;SCHEMBL8132083;DTXSID9069269;4'-Heptyl-biphenyl-4-carbonyl chloride;4'-Heptyl-1,1'-biphenyl-4-carboxylic acid chloride

Chemical Property of [1,1'-Biphenyl]-4-carbonyl chloride, 4'-heptyl-

Chemical Property:

• Boiling Point: 427.9°Cat760mmHg
• Flash Point: 210.9°C
• PSA: 17.07000
• Density: 1.061g/cm³
• LogP: 6.24550
• XLogP3: 7.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 314.1437430
• Heavy Atom Count: 22
• Complexity: 312

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)Cl

Technology Process of [1,1'-Biphenyl]-4-carbonyl chloride, 4'-heptyl-

There total 3 articles about [1,1'-Biphenyl]-4-carbonyl chloride, 4'-heptyl- 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%

4-(4-heptylphenyl)benzoic acid (58573-94-7) → 4'-heptylbiphenyl-4-ylcarboxylic acid chloride (58573-87-8)

Guidance literature:

With thionyl chloride; for 3.5h; Heating;

DOI:10.1021/jo9704319

Reference yield:

4-heptyl-4'-cyanobiphenyl (41122-71-8) → 4'-heptylbiphenyl-4-ylcarboxylic acid chloride (58573-87-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 85 percent / 6M H₂SO₄ / 3 h / 180 °C

2: 100 percent / thionyl chloride / 3.5 h / Heating

With thionyl chloride; sulfuric acid;

DOI:10.1021/jo9704319

Reference yield:

→ 4'-heptylbiphenyl-4-ylcarboxylic acid chloride (58573-87-8)

Guidance literature:

upstream raw materials:

4-(4-heptylphenyl)benzoic acid

4-heptyl-4'-cyanobiphenyl

Downstream raw materials:

4''-(n-Heptyl)biphenyl-4'-carbonsaeure-cyclohexylester

7,16-Bis-(4'-heptyl-biphenyl-4-ylmethyl)-1,4,10,13-tetraoxa-7,16-diaza-cyclooctadecane

[16-(4'-Heptyl-biphenyl-4-carbonyl)-1,4,10,13-tetraoxa-7,16-diaza-cyclooctadec-7-yl]-(4'-heptyl-biphenyl-4-yl)-methanone

4'-Heptyl-biphenyl-4-carboxylic acid 4-(3-trifluoromethyl-nonyl)-phenyl ester

Refernces

• 1、 -. "COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS". Page/Page column 66-67. . Retrieved 2008/06/13.
• 2、 Mikhaleva, M. A.,Igonina, G. A.,Savel'ev, V. A.. "SYNTHESIS AND LIQUID CRYSTAL PROPERTIES OF SUBSTITUTED 5-(ARYLCARBONYLOXY)-2-(p-CYANOPHENYL)PYRIMIDINES". . p. 320 - 325. Retrieved 2007/10/03.