4-tert-Butyl-4'-chlorobenzophenone

Base Information

• Chemical Name: 4-tert-Butyl-4'-chlorobenzophenone
• CAS No.: 67743-49-1
• Molecular Formula: C17H17ClO
• Molecular Weight: 272.77
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID30373799
• Wikidata: Q82162135
• Mol file: 67743-49-1.mol

Synonyms:4-tert-Butyl-4'-chlorobenzophenone;67743-49-1;(4-tert-butylphenyl)-(4-chlorophenyl)methanone;(4-tert-butylphenyl)(4-chlorophenyl)methanone;SCHEMBL9395070;DTXSID30373799;MFCD06201498;AKOS005945432;(4-tert-Butyl-phenyl)-(4-chloro-phenyl)-methanone

Chemical Property of 4-tert-Butyl-4'-chlorobenzophenone

Chemical Property:

• Vapor Pressure: 5.53E-06mmHg at 25°C
• Melting Point: 79-81 °C
• Boiling Point: 380.2°C at 760 mmHg
• Flash Point: 232°C
• PSA: 17.07000
• Density: 1.107g/cm³
• LogP: 4.86850
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 272.0967929
• Heavy Atom Count: 19
• Complexity: 302

Purity/Quality:

98%min ^*data from raw suppliers

4-tert-Butyl-4'-chlorobenzophenone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-tert-Butyl-4'-chlorobenzophenone

There total 13 articles about 4-tert-Butyl-4'-chlorobenzophenone 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: 91.0%

4-Chlorophenylboronic acid (1679-18-1) + C15H18N2 → (4-(tert-butyl)phenyl)(4-chlorophenyl)methanone (67743-49-1)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium acetate; copper(II) trifluoroacetate; In cyclohexane; at 130 ℃; for 24h; Sealed tube; Inert atmosphere;

DOI:10.1002/ejoc.201800857

Reference yield: 90.0%

1-Chloro-4-iodobenzene (637-87-6) + carbon monoxide (201230-82-2) + potassium (4-tert-butyl)phenyltrifluoroborate → (4-(tert-butyl)phenyl)(4-chlorophenyl)methanone (67743-49-1)

Guidance literature:

With sodium carbonate; Trimethylacetic acid; at 100 ℃; for 12h; under 760.051 Torr;

DOI:10.1039/c5cc01968k

Reference yield: 77.0%

4-chloro-benzoyl chloride (122-01-0) + p-tert-butylphenylboronic acid (123324-71-0) → (4-(tert-butyl)phenyl)(4-chlorophenyl)methanone (67743-49-1)

Guidance literature:

With [Pd(3-[(2,6-diisopropylphenyl)-1-imidazolio]-2-quinoxalinide)(PPh₃)Cl₂]; potassium carbonate; In water; at 100 ℃; for 3h;

DOI:10.1002/ejoc.201701241

upstream raw materials:

tert-butylbenzene

4-chloro-benzoyl chloride

4-chlorophenylbis(4-t-butylphenyl)methyl chloride

Methyl 4-chlorobenzoate

Downstream raw materials:

2-(4-tert-butylphenyl)-4-chloromethyl-2-(4-chlorophenyl)-1,3-dioxolane

(4-tert-butyl-phenyl)-(4-chloro-phenyl)-(1-methoxymethyl-1H-imidazol-2-yl)-methanol

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