(+)-2-Chlorobenzhydrol

Base Information

• Chemical Name: (+)-2-Chlorobenzhydrol
• CAS No.: 16071-26-4
• Molecular Formula: C₁₃H₁₁ClO
• Molecular Weight: 218.683
• UNII: 7K971JR66U
• Nikkaji Number: J62.102A
• Wikidata: Q27268454
• Mol file: 16071-26-4.mol

Synonyms:(+)-2-Chlorobenzhydrol;(R)-2-chloro-diphenylmethanol;16071-26-4;2-Chlorobenzhydrol, (2R)-;(R)-(2-chlorophenyl)-phenylmethanol;2-Chlorobenzhydrol, (+)-;7K971JR66U;(+)-(2-Chlorophenyl)phenylmethanol;UNII-7K971JR66U;(alphaR)-2-Chloro-alpha-phenylbenzenemethanol;Benzenemethanol, 2-chloro-alpha-phenyl-, (alphaR)-;(2R)-2-chlorobenzhydrol;SCHEMBL477602;JGDRELLAZGINQM-CYBMUJFWSA-N;(R)-(2-chlorophenyl)phenylmethanol;AKOS015918288;(R)-(2-CHLOROPHENYL)(PHENYL)METHANOL;Q27268454;(.ALPHA.R)-2-CHLORO-.ALPHA.-PHENYLBENZENEMETHANOL;BENZENEMETHANOL, 2-CHLORO-.ALPHA.-PHENYL-, (.ALPHA.R)-

Chemical Property of (+)-2-Chlorobenzhydrol

Chemical Property:

• Vapor Pressure: 2.57E-05mmHg at 25°C
• Refractive Index: 1.609
• Boiling Point: 344.1 °C at 760 mmHg
• PKA: 13.17±0.20(Predicted)
• Flash Point: 161.9 °C
• PSA: 20.23000
• Density: 1.221 g/cm³
• LogP: 3.42170
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 218.0498427
• Heavy Atom Count: 15
• Complexity: 189

Purity/Quality:

98%min ^*data from raw suppliers

(R)-2-CHLORO-DIPHENYLMETHANOL 95.00% ^*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=CC=C2Cl)O
• Isomeric SMILES: C1=CC=C(C=C1)[C@H](C2=CC=CC=C2Cl)O

Technology Process of (+)-2-Chlorobenzhydrol

There total 36 articles about (+)-2-Chlorobenzhydrol 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%

(2-chlorophenyl)(phenyl)methanone (5162-03-8) → (2-chlorophenyl)(phenyl)methanol (6954-45-6,16071-25-3,16071-26-4,134236-27-4)

Guidance literature:

With N-methylpyrrolidine zinc borohydride; In tetrahydrofuran; for 0.5h; Heating;

DOI:10.1081/SCC-120015705

Reference yield: 99.0%

2-chloro-benzaldehyde (89-98-5) + phenylmagnesium bromide (100-58-3) → (2-chlorophenyl)(phenyl)methanol (6954-45-6,16071-25-3,16071-26-4,134236-27-4)

Guidance literature:

In diethyl ether; at 0 - 20 ℃; for 4h; Inert atmosphere;

Reference yield: 99.0%

2-chloro-benzaldehyde (89-98-5) + phenylboronic acid (98-80-6) → (2-chlorophenyl)(phenyl)methanol (6954-45-6,16071-25-3,16071-26-4,134236-27-4)

Guidance literature:

With sodium dihydrogenphosphate; cyclopalladated ferrocenylimine bipyridine complex; In water; at 100 ℃; for 12h;

DOI:10.1016/j.tetlet.2008.07.003

upstream raw materials:

(2-chlorophenyl)(phenyl)methanone

2-chloro-benzaldehyde

1,2-bis-(2-chloro-phenyl)-1,2-diphenyl-ethane-1,2-diol

m-xylene

Downstream raw materials:

(2-{2-[(2-Chloro-phenyl)-phenyl-methoxy]-ethoxy}-ethyl)-dimethyl-amine

(2-chlorophenyl)(phenyl)methanone

(E)-(3-(2-chlorophenyl)prop-1-ene-1,3-diyl)dibenzene

(2-chloro-ethyl)-(2-chloro-benzhydryl)-ether

Refernces

• 1、 -. "Preparation method of cetirizine impurity C". Paragraph 0052-0055; 0068-0070; 0075-0077. . Retrieved 2022/01/10.
• 2、 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.