2,6-Diisopropyl-4-chlorophenol

Base Information

• Chemical Name: 2,6-Diisopropyl-4-chlorophenol
• CAS No.: 91561-75-0
• Molecular Formula: C₁₂H₁₇ClO
• Molecular Weight: 212.719
• UNII: SU8QCP8MR6
• ChEMBL ID: CHEMBL292402
• Nikkaji Number: J964.169F
• Mol file: 91561-75-0.mol

Synonyms:2,6-diisopropyl-4-chlorophenol;4-chloro-2,6-diisopropylphenol;91561-75-0;CHEMBL292402;4-chloro-2,6-di(propan-2-yl)phenol;4-Chloro-2,6-diisopropyl-phenol;SU8QCP8MR6;SCHEMBL4714270;BDBM50064419;Phenol, 4-chloro-2,6-diisopropyl-;4-Chloranyl-2,6-di(propan-2-yl)phenol;4-Chloro-2,6-bis(1-methylethyl)phenol;PD182119;FT-0711278;Phenol, 4-chloro-2,6-bis(1-methylethyl)-;F53387

Chemical Property of 2,6-Diisopropyl-4-chlorophenol

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 212.0967929
• Heavy Atom Count: 14
• Complexity: 161

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC(=CC(=C1O)C(C)C)Cl

Technology Process of 2,6-Diisopropyl-4-chlorophenol

There total 5 articles about 2,6-Diisopropyl-4-chlorophenol 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: 89.0%

2,6-diisopropylphenol (2078-54-8) → 4-Chloropropofol (91561-75-0)

Guidance literature:

With sulfuryl dichloride; In dichloromethane; Reflux;

Reference yield:

propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) + 4-chloro-phenol (106-48-9,82344-39-6) → 4-Chloropropofol (91561-75-0)

Guidance literature:

With aluminium-<4-chloro-phenolate>;

DOI:10.1021/jo01357a014

Reference yield:

phenol (108-95-2,27073-41-2) → 4-Chloropropofol (91561-75-0)

Guidance literature:

Multi-step reaction with 2 steps

1: aluminium phenolate / 220 - 240 °C

2: SO₂Cl₂; pyridine

With pyridine; sulfuryl dichloride; aluminium(III) phenoxide;

DOI:10.1021/jo01357a014

upstream raw materials:

2,6-diisopropylphenol

propene

4-chloro-phenol

isopropyl alcohol

Downstream raw materials:

2,6-diisopropylphenol

[3-(4-chloro-2,6-diisopropyl-phenoxy)-propyl]-dimethyl-amine

[2-(4-chloro-2,6-diisopropyl-phenoxy)-ethyl]-dimethyl-amine