1-(3,4-Dichlorophenyl)-2-hydroxy-1-ethanone

Base Information

• Chemical Name: 1-(3,4-Dichlorophenyl)-2-hydroxy-1-ethanone
• CAS No.: 113337-38-5
• Molecular Formula: C8H6 Cl2 O2
• Molecular Weight: 205.04
• Hs Code.: 2914790090
• European Community (EC) Number: 839-896-0
• DSSTox Substance ID: DTXSID90427666
• Nikkaji Number: J1.649.270A
• Wikidata: Q82240320
• Mol file: 113337-38-5.mol

Synonyms:113337-38-5;1-(3,4-dichlorophenyl)-2-hydroxyethanone;1-(3,4-dichlorophenyl)-2-hydroxy-1-ethanone;1-(3,4-dichlorophenyl)-2-hydroxyethan-1-one;MFCD07698585;3',4'-Dichloro-2-hydroxyacetophenone;2-Hydroxy-3',4'-dichloroacetophenone;SCHEMBL1362599;DTXSID90427666;VEQBTDISCZJNID-UHFFFAOYSA-N;AC2976;AKOS005070026;3',4'-Dichloro-alpha-hydroxyacetophenone;SY130956;3,4-DICHLORO-2-HYDROXYACETOPHENONE;CS-0142178;FT-0680258;EN300-187067;2Z-0712;J-503078;Z228585652;3 inverted exclamation mark ,4 inverted exclamation mark -Dichloro-2-hydroxyacetophenone

Chemical Property of 1-(3,4-Dichlorophenyl)-2-hydroxy-1-ethanone

Chemical Property:

• Vapor Pressure: 1.57E-05mmHg at 25°C
• Melting Point: 116-118°
• Boiling Point: 351°Cat760mmHg
• Flash Point: 166.1°C
• Density: 1.44g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 203.9744848
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

98%min ^*data from raw suppliers

1-(3,4-Dichlorophenyl)-2-hydroxy-1-ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(=O)CO)Cl)Cl

Technology Process of 1-(3,4-Dichlorophenyl)-2-hydroxy-1-ethanone

There total 6 articles about 1-(3,4-Dichlorophenyl)-2-hydroxy-1-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: 42.0%

2-bromo-1-(3,4-dichlorophenyl)ethanone (2632-10-2) → 1-(3,4-dichlorophenyl)-2-hydroxyethan-1-one (113337-38-5)

Guidance literature:

With sodium formate; In methanol;

Reference yield: 34.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 3,4-dichlorobenzaldehyde (6287-38-3) → 1-(3,4-dichlorophenyl)-2-hydroxyethan-1-one (113337-38-5)

Guidance literature:

With triethylamine; 3-ethylbenzothiazolium bromide; Heating;

DOI:10.1002/jhet.5570380526

Reference yield: 26.0%

3',4'-dichloroacetophenone (2642-63-9) → 1-(3,4-dichlorophenyl)-2-hydroxyethan-1-one (113337-38-5)

Guidance literature:

With trifluoroacetic acid; bis-[(trifluoroacetoxy)iodo]benzene; In water; acetonitrile; at 85 ℃; for 3h; Inert atmosphere;

DOI:10.1021/jacs.5b02755

upstream raw materials:

3,4-dichlorostyrene

formaldehyd

3,4-dichlorobenzaldehyde

2-bromo-1-(3,4-dichlorophenyl)ethanone

Refernces

• 1、 Saxena, Aakarsh,Perez, Felix,Krische, Michael J.. "Ruthenium(0) Catalyzed Endiyne-α-Ketol [4 + 2] Cycloaddition: Convergent Assembly of Type II Polyketide Substructures via C-C Bond Forming Transfer Hydrogenation". . p. 5883 - 5886. Retrieved 2015.
• 2、 Chen, Xiangyang,Hao, Jiping,Houk, K. N.,Li, Yingzi,Lou, Liguang,Quan, Haitian,Song, Bichao,Wang, Lu,Xia, Yuanzhi,Xie, Peipei,Xu, Zhongliang,Yang, Weibo. "Pd-Catalyzed Decarboxylative Olefination: Stereoselective Synthesis of Polysubstituted Butadienes and Macrocyclic P-glycoprotein Inhibitors". supporting information. p. 9982 - 9992. Retrieved 2020/06/27.
• 3、 Xu, Yi,Chen, Lu,Yang, Yu-Wen,Zhang, Zhiqiang,Yang, Weibo. "Vinylethylene Carbonates as α,β-Unsaturated Aldehyde Surrogates for Regioselective [3 + 3] Cycloaddition". supporting information. p. 6674 - 6678. Retrieved 2019/09/03.