2-(4-Chlorophenyl)-4-ethylhexane-2,4-diol

Base Information

• Chemical Name: 2-(4-Chlorophenyl)-4-ethylhexane-2,4-diol
• CAS No.: 21133-88-0
• Molecular Formula: C₁₄H₂₁ClO₂
• Molecular Weight: 256.773
• Hs Code.: 2906299090
• DSSTox Substance ID: DTXSID10943459
• Nikkaji Number: J49.395C
• Mol file: 21133-88-0.mol

Synonyms:2-(4-chlorophenyl)-4-ethylhexane-2,4-diol;21133-88-0;RD 6012;BRN 2374891;2,4-HEXANEDIOL, 2-(p-CHLOROPHENYL)-4-ETHYL-;p-Chlorophenyl-1-methyl-1-diethyl-3,3 propanediol-1,3;2-(p-Chlorophenyl)-4-ethyl-2,4-hexanediol;DTXSID10943459;LS-75089

Chemical Property of 2-(4-Chlorophenyl)-4-ethylhexane-2,4-diol

Chemical Property:

• Vapor Pressure: 8.78E-07mmHg at 25°C
• Boiling Point: 390°Cat760mmHg
• Flash Point: 189.7°C
• PSA: 40.46000
• Density: 1.12g/cm³
• LogP: 3.48870
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 256.1230076
• Heavy Atom Count: 17
• Complexity: 232

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(4-Chlorophenyl)-4-ethylhexane-2,4-diol

There total 3 articles about 2-(4-Chlorophenyl)-4-ethylhexane-2,4-diol 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:

para-chloroacetophenone (99-91-2) → 2-(4-Chloro-phenyl)-4-ethyl-hexane-2,4-diol (21133-88-0)

Guidance literature:

Multi-step reaction with 2 steps

1: Zn / benzene; toluene / Heating

2: diethyl ether

With zinc; In diethyl ether; toluene; benzene;

Reference yield:

ethylmagnesium iodide (10467-10-4) + ethyl 3-(4-chlorophenyl)-3-hydroxybutanoate (21133-98-2) → 2-(4-Chloro-phenyl)-4-ethyl-hexane-2,4-diol (21133-88-0)

Guidance literature:

In diethyl ether;

Reference yield:

→ 2-(4-Chloro-phenyl)-4-ethyl-hexane-2,4-diol (21133-88-0)

Guidance literature:

entspr. Ethylester, BrMgC2H5;

upstream raw materials:

ethylmagnesium iodide

ethyl 3-(4-chlorophenyl)-3-hydroxybutanoate

para-chloroacetophenone