2,2-Dichloro-1-(2-chlorophenyl)ethanol

Base Information

• Chemical Name: 2,2-Dichloro-1-(2-chlorophenyl)ethanol
• CAS No.: 27683-60-9
• Molecular Formula: C8H7Cl3O
• Molecular Weight: 225.502
• Hs Code.: 2906299090
• European Community (EC) Number: 248-601-9
• UNII: 1O5KW1KM6N
• DSSTox Substance ID: DTXSID50950344
• Nikkaji Number: J250.571A
• Wikidata: Q27252675
• Mol file: 27683-60-9.mol

Synonyms:27683-60-9;2,2-dichloro-1-(2-chlorophenyl)ethanol;HSDB 2830;Benzenemethanol, 2-chloro-alpha-(dichloromethyl)-;UNII-1O5KW1KM6N;1O5KW1KM6N;2,2-DICHLORO-1-(2-CHLOROPHENYL)-1-ETHANOL;EINECS 248-601-9;2,2-dichloro-1-(2-chlorophenyl)ethan-1-ol;o-Chloro-alpha-(dichloromethyl)benzyl alcohol;2-Chloro-alpha-(dichloromethyl)benzyl alcohol;2,2-DICHLORO-1-(2-CHLOROPHENYL) ETHANOL;Benzyl alcohol, o-chloro-alpha-(dichloromethyl)-;Benzenemethanol, 2-chloro-.alpha.-(dichloromethyl)-;Benzyl alcohol, o-chloro-.alpha.-(dichloromethyl)-;o-Chlorophenyl-dichloromethylcarbinol;1-(2-CHLOROPHENYL)-2,2-DICHLOROETHANOL;DTXSID50950344;CBA68360;AKOS015890860;(O-CHLOROPHENYL)DICHLOROMETHYL CARBINOL;2-Chloro-alpha-(dichloromethyl)benzenemethanol;A819156;Q27252675;2,2-DICHLORO-1-(2-CHLOROPHENYL) ETHANOL [HSDB];2-CHLORO-.ALPHA.-(DICHLOROMETHYL)BENZYL ALCOHOL;O-CHLORO-.ALPHA.-(DICHLOROMETHYL)BENZYL ALCOHOL

Chemical Property of 2,2-Dichloro-1-(2-chlorophenyl)ethanol

Chemical Property:

• Vapor Pressure: 0.000234mmHg at 25°C
• Refractive Index: 1.581
• Boiling Point: 311.9 °C at 760 mmHg
• PKA: 11.91±0.20(Predicted)
• Flash Point: 142.4 °C
• PSA: 20.23000
• Density: 1.449 g/cm³
• LogP: 3.17710
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 223.956248
• Heavy Atom Count: 12
• Complexity: 140

Purity/Quality:

99%, ^*data from raw suppliers

2,2-Dichloro-1-(2-chlorophenyl)ethanol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Halogenated Alcohols
• Canonical SMILES: C1=CC=C(C(=C1)C(C(Cl)Cl)O)Cl

Technology Process of 2,2-Dichloro-1-(2-chlorophenyl)ethanol

There total 7 articles about 2,2-Dichloro-1-(2-chlorophenyl)ethanol 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: 96.0%

2,2,2-trichloro-1-(2-chloro-phenyl)-ethanol (10291-39-1) → 2,2-dichloro-1-(2-chlorophenyl)ethanol (27683-60-9) + 1-(2,2-dichlorovinyl)-2-chlorobenzene (56772-79-3)

Guidance literature:

With isopropyl alcohol; iron pentacarbonyl; at 140 ℃; for 3h;

DOI:10.1007/BF00948249

Reference yield:

2,2‐dichloro‐1‐(2‐chlorophenyl)ethan‐1‐one (24123-67-9) → 2,2-dichloro-1-(2-chlorophenyl)ethanol (27683-60-9)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 20 ℃;

DOI:10.1002/cctc.201300834

Reference yield:

2,2,2-trichloro-1-(2-chloro-phenyl)-ethanol (10291-39-1) → 2,2-dichloro-1-(2-chlorophenyl)ethanol (27683-60-9)

Guidance literature:

With aluminium amalgam; In ethanol;

DOI:10.1021/jo01059a110

upstream raw materials:

2-chlorophenylmagnesium bromide

2,2-dichloroacetaldehyde

2,2,2-trichloro-1-(2-chloro-phenyl)-ethanol

dichloromethane

Downstream raw materials:

N-[5-(2-chloro-phenyl)-thiazol-2-yl]-acetamide

1,1-dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane

1-o-Chlorphenyl-1-chloro-2,2-dichlorethan

C₁₄H₁₀Cl₃F

Refernces

• 1、 Kedziora, Kinga,Diaz-Rodriguez, Alba,Lavandera, Ivan,Gotor-Fernandez, Vicente,Gotor, Vicente. "Laccase/TEMPO-mediated system for the thermodynamically disfavored oxidation of 2,2-dihalo-1-phenylethanol derivatives". supporting information. p. 2448 - 2453. Retrieved 2014/05/06.