Benzoyl chloride, 4-[(2S)-2-methylbutyl]-

Base Information

• Chemical Name: Benzoyl chloride, 4-[(2S)-2-methylbutyl]-
• CAS No.: 62796-32-1
• Molecular Formula: C₁₂H₁₅ClO
• Molecular Weight: 210.704
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID90886512
• Nikkaji Number: J429.495E
• Wikidata: Q76010011
• Mol file: 62796-32-1.mol

Synonyms:62796-32-1;Benzoyl chloride, 4-[(2S)-2-methylbutyl]-;Benzoyl chloride, 4-((2S)-2-methylbutyl)-;Benzoyl chloride, 4-(2-methylbutyl)-, ()-;Benzoyl chloride, 4-(2-methylbutyl)-, (S)-;SCHEMBL11031966;DTXSID90886512;4-(2-methylbutyl)benzoyl chloride;4-[(S)-2-Methylbutyl]benzoic acid chloride;J-513327

Chemical Property of Benzoyl chloride, 4-[(2S)-2-methylbutyl]-

Chemical Property:

• Vapor Pressure: 0.00335mmHg at 25°C
• Boiling Point: 282.5°C at 760 mmHg
• Flash Point: 126.8°C
• PSA: 17.07000
• Density: 1.061g/cm³
• LogP: 3.65420
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 210.0811428
• Heavy Atom Count: 14
• Complexity: 183

Purity/Quality:

99% ^*data from raw suppliers

(+)-PARA-(2-METHYLBUTYL)BENZOYL CHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)CC1=CC=C(C=C1)C(=O)Cl
• Isomeric SMILES: CC[C@H](C)CC1=CC=C(C=C1)C(=O)Cl

Technology Process of Benzoyl chloride, 4-[(2S)-2-methylbutyl]-

There total 1 articles about Benzoyl chloride, 4-[(2S)-2-methylbutyl]- 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:

(S)-4-(2-methylbutyl)benzoic acid → 4-<(S)-2-methylbutyl>benzoyl chloride (62796-32-1)

Guidance literature:

With thionyl chloride;

DOI:10.1039/b512319d

Reference yield:

4-<(S)-2-methylbutyl>benzoyl chloride (62796-32-1) + 4'-n-pentyl-4-hydroxybiphenyl (61760-85-8) → 4'-pentylbiphenyl-4-yl (S)-4-(2-methylbutyl)benzoate

Guidance literature:

With triethylamine; In benzene; at 20 ℃;

DOI:10.1039/b512319d

Reference yield:

4-<(S)-2-methylbutyl>benzoyl chloride (62796-32-1) + 4'-(heptyloxy)[1,1'-biphenyl]-4-ol (105100-89-8) → 4-<(S)-2-methylbutyl>phenyl 4'-heptyloxybiphenyl-4-carboxylate

Guidance literature:

DOI:10.1246/bcsj.62.3216

Downstream raw materials:

4-((S)-2-Methyl-butyl)-benzoic acid 4-((R)-5-hexyl-2-oxo-oxazolidin-3-yl)-phenyl ester