4-Bromo-4'-n-butylbenzophenone

Base Information

• Chemical Name: 4-Bromo-4'-n-butylbenzophenone
• CAS No.: 91404-25-0
• Molecular Formula: C17H17BrO
• Molecular Weight: 317.225
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID70373591
• Wikidata: Q82161809
• Mol file: 91404-25-0.mol

Synonyms:4-Bromo-4'-n-butylbenzophenone;91404-25-0;4-bromo-4'-1-butylbenzophenone;(4-bromophenyl)-(4-butylphenyl)methanone;SCHEMBL6342564;DTXSID70373591;GKUGQFCAMSDWAJ-UHFFFAOYSA-N;MFCD06201570;AKOS005925554;(4-bromophenyl)(4-butylphenyl)methanone;(4-Bromo-phenyl)-(4-butyl-phenyl)-methanone;Bicyclo[2.2.1]heptane-1-methanesulfonyl chloride, 7,7-dimethyl-2-oxo-

Chemical Property of 4-Bromo-4'-n-butylbenzophenone

Chemical Property:

• Vapor Pressure: 8.58E-07mmHg at 25°C
• Boiling Point: 405.7oC at 760 mmHg
• Flash Point: 32.9oC
• PSA: 17.07000
• Density: 1.271g/cm3
• LogP: 5.02270
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 316.04628
• Heavy Atom Count: 19
• Complexity: 273

Purity/Quality:

98%min ^*data from raw suppliers

4-Bromo-4'-n-Butylbenzophenone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Br

Technology Process of 4-Bromo-4'-n-butylbenzophenone

There total 1 articles about 4-Bromo-4'-n-butylbenzophenone 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: 97.0%

1-butylbenzene (104-51-8) + 4-chlorobenzoyl chloride (586-75-4) → 4-bromophenyl-4-butylphenyl methanone (91404-25-0)

Guidance literature:

With aluminium trichloride; at 20 ℃;

DOI:10.1021/jo061617n

Reference yield: 75.0%

4-bromophenyl-4-butylphenyl methanone (91404-25-0) + oct-7-enoic acid methyl ester (15766-90-2) → 8-<4-(4-n-butylbenzoyl)phenyl>octanoic acid methyl ester (147299-38-5)

Guidance literature:

oct-7-enoic acid methyl ester; With 9-borabicyclo[3.3.1]nonane dimer; In tetrahydrofuran; at 20 ℃; for 4h;

4-bromophenyl-4-butylphenyl methanone; With triphenyl-arsane; caesium carbonate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In tetrahydrofuran; water; N,N-dimethyl-formamide; Heating;

DOI:10.1021/jo061617n

Reference yield:

4-bromophenyl-4-butylphenyl methanone (91404-25-0) → 8-<4-(4-n-butylbenzoyl)phenyl>octanoic acid (147299-39-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 9-BBN / tetrahydrofuran / 4 h / 20 °C

1.2: 75 percent / Cs₂CO₃; AsPh₃ / Pd(dppf)Cl₂ / tetrahydrofuran; dimethylformamide; H₂O / Heating

2.1: 82 percent / NaOH / ethanol; H₂O / 20 °C

With sodium hydroxide; 9-borabicyclo[3.3.1]nonane dimer; In tetrahydrofuran; ethanol; water; 1.2: Suzuki coupling;

DOI:10.1021/jo061617n

upstream raw materials:

1-butylbenzene

4-chlorobenzoyl chloride

Downstream raw materials:

8-<4-(4-n-butylbenzoyl)phenyl>octanoic acid methyl ester

8-<4-(4-n-butylbenzoyl)phenyl>octanoic acid

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