3-Chloro-4'-hydroxybenzophenone

Base Information

• Chemical Name: 3-Chloro-4'-hydroxybenzophenone
• CAS No.: 61002-52-6
• Molecular Formula: C₁₃H₉ClO₂
• Molecular Weight: 232.666
• DSSTox Substance ID: DTXSID10486255
• Nikkaji Number: J2.474.395K
• Wikidata: Q82326533
• Mol file: 61002-52-6.mol

Synonyms:3-Chloro-4'-hydroxybenzophenone;61002-52-6;4-(3-chlorobenzoyl)phenol;3-Chlorophenyl 4-hydroxyphenyl ketone;(3-chlorophenyl)-(4-hydroxyphenyl)methanone;SCHEMBL7488057;DTXSID10486255;RFARANORDJNAEK-UHFFFAOYSA-N;FT-0664723;NS00132817;3-Chloro-4 inverted exclamation mark -hydroxybenzophenone

Chemical Property of 3-Chloro-4'-hydroxybenzophenone

Chemical Property:

• Melting Point: 172°C
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 232.0291072
• Heavy Atom Count: 16
• Complexity: 246

Purity/Quality:

98% ^*data from raw suppliers

3-Chloro-4’-hydroxybenzophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Cl)C(=O)C2=CC=C(C=C2)O

Technology Process of 3-Chloro-4'-hydroxybenzophenone

There total 13 articles about 3-Chloro-4'-hydroxybenzophenone 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: 95.0%

(3-chlorophenyl)(4-methoxyphenyl)methanone (13389-51-0) → 3-chlorophenyl 4-hydroxyphenyl ketone (61002-52-6)

Guidance literature:

With aluminum (III) chloride; In toluene; at 130 ℃; for 2h; Inert atmosphere;

DOI:10.1016/j.ejmech.2015.10.032

Reference yield: 87.0%

m-chlorophenylacetylene (766-83-6) + p-benzoquinone (106-51-4) → 3-chlorophenyl 4-hydroxyphenyl ketone (61002-52-6)

Guidance literature:

With dipotassium peroxodisulfate; trifluoroacetic acid; In water; acetonitrile; at 25 ℃; for 6h; Irradiation;

DOI:10.1021/acs.joc.9b00855

Reference yield: 85.0%

3-chlorophenylboronic acid (63503-60-6) + 4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 3-chlorophenyl 4-hydroxyphenyl ketone (61002-52-6)

Guidance literature:

With tri-tert-butyl phosphine; potassium carbonate; acetone; bis(ethylene)rhodium(I) chloride dimer; In 1,4-dioxane; toluene; at 20 - 80 ℃;

DOI:10.1002/adsc.200600530

upstream raw materials:

2-amino-5-chloro-4'-hydroxy-benzophenone

3-chlorobenzoate

phenol

phenyl 3-chlorobenzoate

Downstream raw materials:

[4-(3-chloro-benzoyl)-phenoxy]-acetic acid ethyl ester

(4-acetyloxyphenyl)-(3-chlorophenyl)-methanone

Refernces

• 1、 Yu, Zhiyi,Van Veldhoven, Jacobus P.D.,'T Hart, Ingrid M.E.,Kopf, Adrian H.,Heitman, Laura H.,Ijzerman, Adriaan P.. "Synthesis and biological evaluation of negative allosteric modulators of the Kv11.1(hERG) channel". supporting information. p. 50 - 59. Retrieved 2015/11/23.
• 2、 Sudha,Shashikanth,Khanum, Shaukath Ara. "Synthesis of 5-(4′-aroyl)-aryloxy methyl-4H-(1,2,4)-triazolin-3-thiol and their biological activity". . p. 85 - 88. Retrieved 2007/10/03.