2,2-Bis(4-oxocyclohexyl)propane

Base Information

• Chemical Name: 2,2-Bis(4-oxocyclohexyl)propane
• CAS No.: 7418-16-8
• Molecular Formula: C15H24O2
• Molecular Weight: 236.354
• Hs Code.: 2914299000
• European Community (EC) Number: 231-035-1
• NSC Number: 36631
• DSSTox Substance ID: DTXSID60225151
• Nikkaji Number: J278.822E
• Wikidata: Q83104075
• Mol file: 7418-16-8.mol

Synonyms:7418-16-8;2,2-Bis(4-oxocyclohexyl)propane;4,4'-(Propane-2,2-diyl)dicyclohexanone;4-[2-(4-oxocyclohexyl)propan-2-yl]cyclohexan-1-one;4,4'-(1-Methylethylidene)biscyclohexan-1-one;EINECS 231-035-1;NSC36631;SCHEMBL2709914;DTXSID60225151;4,4'-Isopropylidenedicyclohexanone;MFCD00191618;NSC 36631;NSC-36631;4,4'-Isopropylidenebis(cyclohexanone);AKOS015914935;AS-63631;B1672;FT-0636477;Cyclohexanone, 4,4'-(1-methylethylidene)bis-;T71290

Chemical Property of 2,2-Bis(4-oxocyclohexyl)propane

Chemical Property:

• Appearance/Colour: white powder
• Melting Point: 164 °C
• Boiling Point: 358.3 °C at 760 mmHg
• Flash Point: 134.4 °C
• PSA: 34.14000
• Density: 1.035 g/cm³
• LogP: 3.53120
• Storage Temp.: 2-8°C
• Solubility.: soluble in Chloroform
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 236.177630004
• Heavy Atom Count: 17
• Complexity: 267

Purity/Quality:

99% ^*data from raw suppliers

2,2-Bis(4-oxocyclohexyl)propane >95.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C1CCC(=O)CC1)C2CCC(=O)CC2

Technology Process of 2,2-Bis(4-oxocyclohexyl)propane

There total 4 articles about 2,2-Bis(4-oxocyclohexyl)propane 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: 42.0%

4,4'-isopropylidenedicyclohexanol (13804-54-1,13804-57-4,13804-58-5,80-04-6) → 2,2-bis(4-oxocyclohexyl)propane (7418-16-8)

Guidance literature:

With potassium hydroxide; In neat (no solvent); at 160 ℃; for 24h;

DOI:10.1248/CPB.C21-00749

Reference yield:

BPA (80-05-7) → 2,2-bis(4-oxocyclohexyl)propane (7418-16-8)

Guidance literature:

Multistep reaction; (i) H₂, Raney-Ni, EtOH, (heating), (ii) CrO₃, aq. AcOH;

DOI:10.1246/bcsj.39.2194

Reference yield:

4,4'-isopropylidenedicyclohexanol (13804-54-1,13804-57-4,13804-58-5,80-04-6) + acetic acid (64-19-7,77671-22-8) → 2,2-bis(4-oxocyclohexyl)propane (7418-16-8)

Guidance literature:

upstream raw materials:

4,4'-isopropylidenedicyclohexanol

BPA

acetic acid

Downstream raw materials:

C₁₉H₃₆O₄

Refernces

• 1、 -. "The cyclohexanone derivative". Paragraph 0025-0026; 0029-0033. . Retrieved 2021/10/13.