Proclonol

Base Information

• Chemical Name: Proclonol
• CAS No.: 14088-71-2
• Molecular Formula: C16H14 Cl2 O
• Molecular Weight: 293.193
• Hs Code.: 2906299090
• European Community (EC) Number: 237-934-5
• UNII: 2IGW7XIE2Y
• DSSTox Substance ID: DTXSID4057972
• Nikkaji Number: J8.481F
• Wikidata: Q27254787
• NCI Thesaurus Code: C82303
• ChEMBL ID: CHEMBL2105277
• Mol file: 14088-71-2.mol

Synonyms:bis(4-chlorophenyl)cyclopropylmethanol;Kilacar;proclonol

Chemical Property of Proclonol

Chemical Property:

• Vapor Pressure: 5.74E-08mmHg at 25°C
• Melting Point: 60°C
• Boiling Point: 424.6°Cat760mmHg
• Flash Point: 154.9°C
• PSA: 20.23000
• Density: 1.351g/cm³
• LogP: 4.63930
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 292.0421705
• Heavy Atom Count: 19
• Complexity: 278

Purity/Quality:

99% ^*data from raw suppliers

PROCLONOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1C(C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Cl)O
• Uses: Anthelmintic; antifungal.

Technology Process of Proclonol

There total 4 articles about Proclonol 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: 87.0%

1-Chloro-4-iodobenzene (637-87-6) + 4-chlorophenyl cyclopropyl ketone (6640-25-1) → bis(4-chlorophenyl)(cyclopropyl)methanol (14088-71-2)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 2.77778E-05h; Flow reactor;

DOI:10.1055/s-0040-1707259

Reference yield: 85.0%

cyclopropylmagnesium bromide (23719-80-4) + 4,4'-Dichlorobenzophenone (90-98-2) → bis(4-chlorophenyl)(cyclopropyl)methanol (14088-71-2)

Guidance literature:

In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1021/jo102374z

Reference yield: 80.0%

cyclopropyl bromide (4333-56-6,130561-87-4) + 4,4'-Dichlorobenzophenone (90-98-2) → bis(4-chlorophenyl)(cyclopropyl)methanol (14088-71-2)

Guidance literature:

cyclopropyl bromide; With magnesium;

4,4'-Dichlorobenzophenone; Further stages.;

DOI:10.1021/ja001241+

upstream raw materials:

ethyl cyclopropylcarboxylate

(4-chlorphenyl)magnesium bromide

cyclopropyl bromide

4,4'-Dichlorobenzophenone

Downstream raw materials:

bis-(4-chloro-phenyl)-cyclopropyl-methane

bromo-bis-(4-chloro-phenyl)-cyclopropyl-methane

4,4′-(4-bromobut-1-ene-1,1-diyl)bis(chlorobenzene)

Refernces

• 1、 Qi, Wenke,Wang, Peipei,Fan, Liyuan,Zhang, Songlin. "A method for synthesis of homoallylic bromide". . p. 5918 - 5924. Retrieved 2013/07/26.
• 2、 Jahnke, Wolfgang,Perez, Lawrence B.,Paris, C. Gregory,Strauss, Andre,Fendrich, Gabriele,Nalin, Carlo M.. "Second-site NMR screening with a spin-labeled first ligand [5]". . p. 7394 - 7395. Retrieved 2007/10/03.