4-(4-Bromophenyl)cyclohexanone

Base Information

• Chemical Name: 4-(4-Bromophenyl)cyclohexanone
• CAS No.: 84892-43-3
• Molecular Formula: C12H13BrO
• Molecular Weight: 253.139
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID70435385
• Nikkaji Number: J2.835.585H
• Wikidata: Q72449323
• Mol file: 84892-43-3.mol

Synonyms:4-(4-BROMOPHENYL)CYCLOHEXANONE;84892-43-3;4-(4-bromophenyl)cyclohexan-1-one;Cyclohexanone, 4-(4-bromophenyl)-;4-(p-bromophenyl)-cyclohexanone;SCHEMBL6660756;DTXSID70435385;BYVCFGNCJKEOOF-UHFFFAOYSA-N;4-(4-Bromo-phenyl)-cyclohexanone;MFCD11111144;AS-60122;CS-0157594;FT-0731172;C76712;A863931

Chemical Property of 4-(4-Bromophenyl)cyclohexanone

Chemical Property:

• Melting Point: 60℃
• Boiling Point: 340.3±42.0 °C(Predicted)
• PSA: 17.07000
• Density: 1.380±0.06 g/cm3(Predicted)
• LogP: 3.67580
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 252.01498
• Heavy Atom Count: 14
• Complexity: 196

Purity/Quality:

98%,99% ^*data from raw suppliers

4-(4-Bromophenyl)cyclohexanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)CCC1C2=CC=C(C=C2)Br

Technology Process of 4-(4-Bromophenyl)cyclohexanone

There total 7 articles about 4-(4-Bromophenyl)cyclohexanone 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: 56.0%

4'-bromo-2,5-dihydro-[1,1'-biphenyl]-4(3H)-one (155472-39-2) → 4-(p-bromophenyl)-cyclohexanone (84892-43-3)

Guidance literature:

With hydrogen; Rh on carbon; In ethyl acetate; for 6h; under 31028.9 Torr; Ambient temperature;

DOI:10.1021/jo00086a042

Reference yield:

8-(4-bromophenyl)-1,4-dioxaspiro[4.5]dec-7-ene (125962-60-9) → 4-(p-bromophenyl)-cyclohexanone (84892-43-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 85percent acetic acid / 3 h / 100 °C

2: 56 percent / H₂ / 5percent Rh/C / ethyl acetate / 6 h / 31028.9 Torr / Ambient temperature

With hydrogen; acetic acid; Rh on carbon; In ethyl acetate;

DOI:10.1021/jo00086a042

Reference yield:

4-Hydroxy-4-(p-bromophenyl)cyclohexanone ethylene ketal (125962-59-6) → 4-(p-bromophenyl)-cyclohexanone (84892-43-3)

Guidance literature:

Multi-step reaction with 3 steps

1: KHSO₄ / chlorobenzene / 12 h / Heating

2: 85percent acetic acid / 3 h / 100 °C

3: 56 percent / H₂ / 5percent Rh/C / ethyl acetate / 6 h / 31028.9 Torr / Ambient temperature

With potassium hydrogensulfate; hydrogen; acetic acid; Rh on carbon; In ethyl acetate; chlorobenzene;

DOI:10.1021/jo00086a042

upstream raw materials:

4'-bromo-2,5-dihydro-[1,1'-biphenyl]-4(3H)-one

8-(4-bromophenyl)-1,4-dioxaspiro[4.5]dec-7-ene

4-Hydroxy-4-(p-bromophenyl)cyclohexanone ethylene ketal

1,4-bromoiodobenzene

Downstream raw materials:

4-(p-Bromophenyl)cyclohexanone ethylene ketal

C₂₉H₃₃BrN₂O

Refernces

• 1、 -. "NOVEL 5 or 8-SUBSTITUTED IMIDAZO [1, 5-a] PYRIDINES AS SELECTIVE INHIBITORS OF INDOLEAMINE AND/OR TRYPTOPHANE 2, 3-DIOXYGENASES". Paragraph 0575; 0578. . Retrieved 2018/04/20.
• 2、 -. "Liquid-crystalline biphenyl or terphenyl derivatives". . . Retrieved 2008/06/13.