3,4-Dichlorobenzhydryl alcohol

Base Information

• Chemical Name: 3,4-Dichlorobenzhydryl alcohol
• CAS No.: 68240-78-8
• Molecular Formula: C13H10Cl2O
• Molecular Weight: 253.128
• Hs Code.: 2906299090
• European Community (EC) Number: 269-481-4
• DSSTox Substance ID: DTXSID00987766
• Nikkaji Number: J289.097F
• Mol file: 68240-78-8.mol

Synonyms:68240-78-8;3,4-Dichlorobenzhydryl alcohol;3,4-Dichlorobenzhydrol;(3,4-dichlorophenyl)(phenyl)methanol;(3,4-dichlorophenyl)-phenylmethanol;EINECS 269-481-4;SCHEMBL477651;DTXSID00987766;DALLAISNTUBBNX-UHFFFAOYSA-N;(3.4-Dichlorophenyl)(phenyl)methanol;AKOS010334221;BS-24439;A1-02279

Chemical Property of 3,4-Dichlorobenzhydryl alcohol

Chemical Property:

• Vapor Pressure: 2.23E-06mmHg at 25°C
• Refractive Index: 1.617
• Boiling Point: 377.8 °C at 760 mmHg
• Flash Point: 143.5 °C
• PSA: 20.23000
• Density: 1.325 g/cm³
• LogP: 4.07510
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 252.0108703
• Heavy Atom Count: 16
• Complexity: 216

Purity/Quality:

99% ^*data from raw suppliers

3,4'-DICHLOROBENZHYDROL ^*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(C2=CC(=C(C=C2)Cl)Cl)O

Technology Process of 3,4-Dichlorobenzhydryl alcohol

There total 5 articles about 3,4-Dichlorobenzhydryl alcohol 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: 100.0%

3,4-dichlorobenzophenone (6284-79-3) → (3,4-dichlorophenyl)(phenyl)methanol (68240-78-8)

Guidance literature:

With sodium tetrahydroborate; In ethanol; at 25 ℃; for 2h;

Reference yield: 84.0%

3,4-dichlorobenzaldehyde (6287-38-3) + phenylboronic acid (98-80-6) → (3,4-dichlorophenyl)(phenyl)methanol (68240-78-8)

Guidance literature:

With trifluorormethanesulfonic acid; palladium diacetate; 2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine; In 1,4-dioxane; water; at 80 ℃;

DOI:10.1016/j.tetlet.2014.07.073

Reference yield: 70.0%

phenylmagnesium bromide (100-58-3) + 3,4-dichlorobenzaldehyde (6287-38-3) → (3,4-dichlorophenyl)(phenyl)methanol (68240-78-8)

Guidance literature:

In tetrahydrofuran; at 20 ℃; Inert atmosphere;

DOI:10.1016/j.ejmech.2018.11.010

upstream raw materials:

3,4-dichlorobenzophenone

water

phenylmagnesium bromide

3,4-dichlorobenzaldehyde

Downstream raw materials:

α-(3,4-dichlorophenyl)phenylacetonitrile

3,4-dichlorobenzhydryl-1H-1,2,4-triazole

3,4-dichlorobenzhydryl-1H-imidazole

2-((3,4-dichlorophenyl)(phenyl)methyl)-1-phenylbutane-1,3-dione

Refernces

• 1、 Winters, Maria,DuHadaway, James B.,Pham, Khoa N.,Lewis-Ballester, Ariel,Badir, Shorouk,Wai, Jenny,Sheikh, Eesha,Yeh, Syun-Ru,Prendergast, George C.,Muller, Alexander J.,Malachowski, William P.. "Diaryl hydroxylamines as pan or dual inhibitors of indoleamine 2,3-dioxygenase-1, indoleamine 2,3-dioxygenase-2 and tryptophan dioxygenase". supporting information. p. 455 - 464. Retrieved 2018/11/25.
• 2、 -. "SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF". Page/Page column 203. . Retrieved 2015/06/11.