2-Chloro-3'-hydroxyacetophenone

Base Information

• Chemical Name: 2-Chloro-3'-hydroxyacetophenone
• CAS No.: 62932-90-5
• Molecular Formula: C8H7ClO2
• Molecular Weight: 170.595
• DSSTox Substance ID: DTXSID60514092
• Nikkaji Number: J60.196I
• Wikidata: Q82374231
• Mol file: 62932-90-5.mol

Synonyms:2-Chloro-3'-hydroxyacetophenone;62932-90-5;2-chloro-1-(3-hydroxyphenyl)ethanone;2-CHLORO-1-(3-HYDROXYPHENYL)ETHAN-1-ONE;Ethanone, 2-chloro-1-(3-hydroxyphenyl)-;SCHEMBL620024;DTXSID60514092;ZB1114;FT-0702745

Chemical Property of 2-Chloro-3'-hydroxyacetophenone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 93 °C
• Boiling Point: 325.766oC at 760 mmHg
• PKA: 8.98±0.10(Predicted)
• Flash Point: 150.818oC
• PSA: 37.30000
• Density: 1.304g/cm3
• LogP: 1.81370
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 170.0134572
• Heavy Atom Count: 11
• Complexity: 147

Purity/Quality:

98%Min ^*data from raw suppliers

2-CHLORO-3'-HYDROXYACETOPHENONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chloro-3'-hydroxyacetophenone

There total 1 articles about 2-Chloro-3'-hydroxyacetophenone 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%

3-Hydroxyacetophenone (121-71-1) → 2-chloro-1-(3-hydroxy phenyl)ethan-1-one (62932-90-5)

Guidance literature:

With sulfuryl dichloride; In dichloromethane; at 5 - 25 ℃; for 2h;

Reference yield: 99.0%

2-chloro-1-(3-hydroxy phenyl)ethan-1-one (62932-90-5) → (R)-2-chloro-1-(3-hydroxyphenyl)ethanol (925430-39-3)

Guidance literature:

With hydrogen; Ru(OTf)[(S,S)-TsDPEN](η⁶-mesitylene); In methanol; at 30 ℃; for 15h; under 7600 Torr;

DOI:10.1021/ol062661s

Reference yield: 95.0%

2-chloro-1-(3-hydroxy phenyl)ethan-1-one (62932-90-5) → 3-((S)-2-Chloro-1-hydroxy-ethyl)-phenol

Guidance literature:

With potassium tert-butylate; isopropyl alcohol; chloro[(1R,2R)-N-(p-toluenesulfonyl)-1,2-diphenylethylenediamine] (pentamethylcyclopentadienyl) rhodium; at 25 ℃;

DOI:10.1016/j.tet.2004.06.076

upstream raw materials:

3-Hydroxyacetophenone

Downstream raw materials:

(R)-2-chloro-1-(3-hydroxyphenyl)ethanol

3-(2-azido-1-hydroxy-ethyl)-phenol

(+)-Norphenylephrine

C₁₄H₁₄N₂O₂S

Refernces

• 1、 -. "IMPROVED SYNTHESIS OF MONO-CHLORINATED ACETOPHENONE". Page/Page column 8; 10; 11; 17; 18; 19; 22. . Retrieved 2019/07/13.
• 2、 Guy, Alain,Lemaire, Marc,Guette, Jean-Paul. "Selective α-Chlorination of Alkyl Aryl Ketones". . p. 1018 - 1020. Retrieved 2007/10/02.