2-Chloro-1,1-diphenylethanol

Base Information

• Chemical Name: 2-Chloro-1,1-diphenylethanol
• CAS No.: 950-17-4
• Molecular Formula: C14H13 Cl O
• Molecular Weight: 232.71
• European Community (EC) Number: 660-790-3
• NSC Number: 30273
• DSSTox Substance ID: DTXSID50283184
• Nikkaji Number: J1.012.782C
• Wikidata: Q82017664
• Mol file: 950-17-4.mol

Synonyms:2-chloro-1,1-diphenylethanol;950-17-4;NSC30273;SCHEMBL9661051;DTXSID50283184;OIWPMKVQRVMTQU-UHFFFAOYSA-N;1,1-diphenyl-2-chloroethan-1-ol;2-Chloro-1,1-diphenylethan-1-ol;4-chloro-a-methylbenzhydryl alcohol;1,1-Diphenyl-2-chloro-ethan-1-ol;2-Chloro-1,1-diphenyl-ethan-1-ol;MFCD00094265;NSC-30273;AKOS024338911;2-CHLORO-1,1-DIPHENYL-ETHANOL

Chemical Property of 2-Chloro-1,1-diphenylethanol

Chemical Property:

• Vapor Pressure: 2.85E-06mmHg at 25°C
• Boiling Point: 374.5°Cat760mmHg
• Flash Point: 165.6°C
• PSA: 20.23000
• Density: 1.192g/cm³
• LogP: 3.16130
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 232.0654927
• Heavy Atom Count: 16
• Complexity: 187

Purity/Quality:

99% ^*data from raw suppliers

2-CHLORO-1,1-DIPHENYLETHANOL AldrichCPR ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(CCl)(C2=CC=CC=C2)O

Technology Process of 2-Chloro-1,1-diphenylethanol

There total 15 articles about 2-Chloro-1,1-diphenylethanol 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: 80.0%

1,1-Diphenylethylene (530-48-3) → 1,1-diphenyl-2-chloroethan-1-ol (950-17-4)

Guidance literature:

With hydrogenchloride; iodosylbenzene; for 0.0833333h;

DOI:10.1016/S0040-4020(98)00844-8

Reference yield: 72.0%

phenylmagnesium bromide + chloroacetyl chloride (79-04-9) → 1,1-diphenyl-2-chloroethan-1-ol (950-17-4)

Guidance literature:

In diethyl ether; at -50 - 20 ℃;

Reference yield: 70.0%

benzophenone (119-61-9) + Chloroiodomethane (593-71-5) → 1,1-diphenyl-2-chloroethan-1-ol (950-17-4)

Guidance literature:

With methyllithium; In tetrahydrofuran; at -40 ℃; Flow reactor;

DOI:10.1002/adsc.201400747

upstream raw materials:

1,4-dioxane

ethyl nitrite

2-amino-1,1-diphenyl-ethanol; hydrochloride

n-Butyl nitrite

Downstream raw materials:

1,1-diphenyl-2-(1,2,4-triazol-1-yl)-1-ethanol

1,1-diphenyl-2-(4-pyridin-2-yl-piperazin-1-yl)-ethanol

2-(cis-3,5-dimethyl-piperazino)-1,1-diphenyl-ethanol

(+/-)-2-(trans-2,5-dimethyl-piperazino)-1,1-diphenyl-ethanol

Refernces

• 1、 Ajvazi, Njomza,Stavber, Stojan. "Transformation of tertiary benzyl alcohols into the vicinal halo-substituted derivatives using N-Halosuccinimides". . . Retrieved 2016/11/02.
• 2、 Sohmiya, Hajime,Kimura, Takahide,Fujita, Mitsue,Ando, Takashi. "Solid-state organic reactions proceeding by pulverization: Oxidation and halogenation with iodosobenzene and inorganic solid-supports". . p. 13737 - 13750. Retrieved 2007/10/03.