2-Chloro-1-(2,4-dihydroxyphenyl)ethanone

Base Information

• Chemical Name: 2-Chloro-1-(2,4-dihydroxyphenyl)ethanone
• CAS No.: 25015-92-3
• Molecular Formula: C8H7ClO3
• Molecular Weight: 186.595
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID80368377
• Wikidata: Q72518568
• Mol file: 25015-92-3.mol

Synonyms:25015-92-3;2-chloro-1-(2,4-dihydroxyphenyl)ethanone;2-Chloro-1-(2,4-dihydroxy-phenyl)-ethanone;2-Chloro-1-(2,4-dihydroxyphenyl)ethan-1-one;Ethanone, 2-chloro-1-(2,4-dihydroxyphenyl)-;2-Chloro-1-(2,4-dihydroxyphenyl)-Ethanone;MFCD03964730;2-Chloro-2',4'-dihydroxyacetophenone;4-(2-chloroacetyl)resorcinol;2,4-Dihydroxyphenacyl chloride;SCHEMBL4828627;DTXSID80368377;PKYLMJSVVVYYRS-UHFFFAOYSA-N;CS-M3295;BBL011800;STK802557;AKOS000275904;VS-03045;FT-0698095;EN300-04971;VU0510205-1;A18526;F87248;Z56886635;F3139-1205;Methyl(S)-2-(Boc-amino)-3-(5-bromo-3-indolyl)propanoate

Chemical Property of 2-Chloro-1-(2,4-dihydroxyphenyl)ethanone

Chemical Property:

• Vapor Pressure: 6.98E-06mmHg at 25°C
• Melting Point: 130-132 °C
• Refractive Index: 1.611
• Boiling Point: 366.4 °C at 760 mmHg
• PKA: 7.31±0.35(Predicted)
• Flash Point: 175.4 °C
• PSA: 57.53000
• Density: 1.444 g/cm³
• LogP: 1.51930
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 186.0083718
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

98%min ^*data from raw suppliers

2-Chloro-1-(2,4-dihydroxyphenyl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1O)O)C(=O)CCl

Technology Process of 2-Chloro-1-(2,4-dihydroxyphenyl)ethanone

There total 10 articles about 2-Chloro-1-(2,4-dihydroxyphenyl)ethanone 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: 94.0%

imine (755722-84-0) → 2-chloro-1-(2,4-dihydroxyphenyl)ethanone (25015-92-3)

Guidance literature:

In water; for 1h; Reflux;

DOI:10.3390/molecules24020279

Reference yield: 92.5%

chloroacetonitrile (107-14-2) + recorcinol (108-46-3) → 2-chloro-1-(2,4-dihydroxyphenyl)ethanone (25015-92-3)

Guidance literature:

chloroacetonitrile; recorcinol; With hydrogenchloride; zinc(II) chloride; In diethyl ether; Cooling with ice;

With hydrogenchloride; In water; for 1h; Reflux;

Reference yield: 64.0%

ethyl acetate n-hexane + chloroacetyl chloride (79-04-9) + recorcinol (108-46-3) → 2-chloro-1-(2,4-dihydroxyphenyl)ethanone (25015-92-3)

Guidance literature:

With hydrogenchloride; aluminium trichloride; In nitrobenzene;

upstream raw materials:

chloroacetonitrile

recorcinol

chloroacetic acid

chloroacetyl chloride

Downstream raw materials:

(Z)-2-phenylmethylene-5-hydroxy-3(2H)-benzofuranone

3'-iodo-4',7-dimethoxyflavone

7-methoxy-2-[4-methoxy-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-chromen-4-one

(Z)-6-hydroxy-2-(4-hydroxybenzylidene)benzofuran-3(2H)-one

Refernces

• 1、 Dalal, Sunita,Kumar, Gourav,Kumar, Ramesh,Kumar, Suresh,Kumari, Meena,Saroha, Bhavna. "Design, synthesis, biological evaluation, and molecular docking studies of some novel N,N-dimethylaminopropoxy-substituted aurones". . . Retrieved 2021/10/25.
• 2、 Bdzhola, V. G.,Bilokin, Y. V.,Borysenko, I. P.,Lukashov, S. S.,Protopopov, M. V.,Prykhod'ko, A. O.,Starosyla, S. A.,Vdovin, V. S.,Yarmoluk, S. M.. "Flavone inspired discovery of benzylidenebenzofuran-3(2H)-ones (aurones) as potent inhibitors of human protein kinase CK2". supporting information. . Retrieved 2020/07/21.