BICYCLOHEXYL-3,5-DIONE

Base Information

• Chemical Name: BICYCLOHEXYL-3,5-DIONE
• CAS No.: 17844-66-5
• Molecular Formula: C12H18 O2
• Molecular Weight: 194.274
• Hs Code.: 2914299000
• Mol file: 17844-66-5.mol

Synonyms:[Bicyclohexyl]-3,5-dione(8CI)

Chemical Property of BICYCLOHEXYL-3,5-DIONE

Chemical Property:

• Vapor Pressure: 0.000139mmHg at 25°C
• Refractive Index: 1.509
• Boiling Point: 333.1°C at 760 mmHg
• Flash Point: 124.9°C
• PSA: 68.28000
• Density: 1.081g/cm³
• LogP: 0.86300

Purity/Quality:

99% ^*data from raw suppliers

BICYCLOHEXYL-3,5-DIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of BICYCLOHEXYL-3,5-DIONE

There total 10 articles about BICYCLOHEXYL-3,5-DIONE 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: 69.0%

(E)-5-cyclohexylpent-3-en-2-one (1381884-63-4) + sodium ethanolate (141-52-6) → [1,1'-bi(cyclohexane)]-3,5-dione (17844-66-5)

Guidance literature:

(E)-5-cyclohexylpent-3-en-2-one; sodium ethanolate; With diethyl malonate; In ethanol; at 25 - 60 ℃; Reflux;

With sodium hydroxide; In ethanol; at 80 ℃; for 2h;

With hydrogenchloride; In ethanol; water; for 1h; pH=2; Reflux;

DOI:10.1021/jm401939g

Reference yield: 25.0%

4-cyclohexyl-3-buten-2-one (7152-32-1) + diethyl malonate (105-53-3) → [1,1'-bi(cyclohexane)]-3,5-dione (17844-66-5)

Guidance literature:

4-cyclohexyl-3-buten-2-one; diethyl malonate; With sodium; In methanol; at 80 ℃; for 4h;

With sodium hydroxide; In methanol; water; at 80 ℃; for 0.666667h;

With hydrogenchloride; In methanol; water; Reflux;

Reference yield:

cyclohexanecarbaldehyde (2043-61-0) → [1,1'-bi(cyclohexane)]-3,5-dione (17844-66-5)

Guidance literature:

Multi-step reaction with 4 steps

1: 76 percent / 50percent aq. NaOH / 72 h / Ambient temperature

2: EtONa / ethanol / 6 h / Heating

3: 2 N NaOH / 2 h / Heating

4: 5 N H₂SO₄ / 4.5 h / Heating

With sodium hydroxide; sulfuric acid; sodium ethanolate; In ethanol;

DOI:10.1021/jm00097a001

upstream raw materials:

3,5-dioxo-bicyclohexyl-2-carboxylic acid ethyl ester

4-cyclohexyl-3-buten-2-one

diethyl malonate

cyclohexanecarbaldehyde

Downstream raw materials:

7-Chloro-3-cyclohexyl-10-hydroxy-3,4-dihydro-2H,10H-acridine-1,9-dione

1,3-cyclohexanedione, 2-propanoyl-5-cyclohexyl-

4-(1-((2-methoxyphenyl)amino)ethylidene)-[1,1'-bi(cyclohexane)]-3,5-dione