3',4'-Dichloroacetophenone

Base Information

• Chemical Name: 3',4'-Dichloroacetophenone
• CAS No.: 2642-63-9
• Molecular Formula: C8H6Cl2O
• Molecular Weight: 189.041
• Hs Code.: 29147000
• European Community (EC) Number: 220-146-0
• NSC Number: 403673
• DSSTox Substance ID: DTXSID8062571
• Nikkaji Number: J80.534C
• Wikidata: Q63395542
• ChEMBL ID: CHEMBL4640796
• Mol file: 2642-63-9.mol

Synonyms:3',4'-Dichloroacetophenone;2642-63-9;1-(3,4-Dichlorophenyl)ethanone;3,4-Dichloroacetophenone;Ethanone, 1-(3,4-dichlorophenyl)-;1-(3,4-Dichlorophenyl)ethan-1-one;Acetophenone, 3',4'-dichloro-;MFCD00000553;3,4 dichloro acetophenone;EINECS 220-146-0;NSC 403673;AI3-00479;3,4-Dicloroacetophenone;3.4-dichloroacetophenone;3,4-dichloro-acetophenone;3', 4'-dichloroacetophenone;3',4'-dichloro acetophenone;SCHEMBL313211;3/',4/'-Dichloroacetophenone;D-6-OXO-PIPECOLINICACID;CHEMBL4640796;DTXSID8062571;1-(3,4-dichlorophenyl)-ethanone;1-(3,4-dichloro-phenyl)-ethanone;3',4'-Dichloroacetophenone, 99%;STR00859;1-(3,4-Dichlorophenyl)ethanone #;BBL027299;NSC403673;STK397842;AKOS000112424;AC-2998;CS-W015973;NSC-403673;PS-3397;SY003529;4-hydroxybutanal;AM20040052;D0311;FT-0614219;EN300-19827;A818440;AE-641/01957064;W-107172;Q63395542;F0001-0871;Z104475662;3 inverted exclamation mark ,4 inverted exclamation mark -Dichloroacetophenone

Chemical Property of 3',4'-Dichloroacetophenone

Chemical Property:

• Appearance/Colour: white to cream-colored powder or crystals
• Melting Point: 72-74 °C(lit.)
• Refractive Index: 1.5595 (estimate)
• Boiling Point: 264.858 °C at 760 mmHg
• Flash Point: 120.339 °C
• PSA: 17.07000
• Density: 1.305 g/cm³
• LogP: 3.19600
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 187.9795702
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

98%,99%, ^*data from raw suppliers

3'',4''-Dichloroacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi; Xn
• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38
• Safety Statements: 26-36/37/39-36-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC(=C(C=C1)Cl)Cl
• Uses: 3'',4''-Dichloroacetophenone (cas# 2642-63-9) is a compound useful in organic synthesis. 3′,4′-Dichloroacetophenone (3,4-Dichloroacetophenone) was used in the synthesis of substituted aryl aminothiazoles.

Technology Process of 3',4'-Dichloroacetophenone

There total 22 articles about 3',4'-Dichloroacetophenone 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: 97.0%

1-(S)-(-)-(3,4-dichlorophenyl)-ethylamine (74877-07-9,150025-93-7) → 3',4'-dichloroacetophenone (2642-63-9)

Guidance literature:

With 4-phenylnaphthalene-1,2-dione; In acetonitrile; at 80 ℃; for 36h;

DOI:10.1021/acscatal.8b00992

Reference yield: 95.0%

1-(3,4-dichlorophenyl)ethan-1-ol (1475-11-2) → 3',4'-dichloroacetophenone (2642-63-9)

Guidance literature:

With tert.-butylhydroperoxide; tetrabutylammomium bromide; In decane; benzene; at 40 ℃; for 24h; chemoselective reaction; Sealed tube;

DOI:10.1002/adsc.201400100

Reference yield: 95.0%

→ 3',4'-dichloroacetophenone (2642-63-9)

Guidance literature:

upstream raw materials:

3-amino-4-chloroacetophenone

1-(3,4-dichlorophenyl)ethan-1-ol

1-(2-amino-4-chloro-3-nitro-phenyl)-ethanone

1-(2-amino-4-chloro-5-nitro-phenyl)-ethanone

Downstream raw materials:

2-(3,4-dichlorophenyl)quinoline-4-carboxylic acid

(2E)-1-(3,4-dichlorophenyl)-3-phenyl-2-propen-1-one

1-(3,4-dichlorophenyl)ethan-1-ol

2-(3,4-dichloro-phenyl)-but-3-yn-2-ol

Refernces

• 1、 Deng, Jiyong,Fang, Zhengjun,Lan, Donghui,Liao, Yunfeng,Liu, Qingquan,Zhang, Weijie,Zhou, Xiang. "Promoting charge separation in donor-acceptor conjugated microporous polymers: Via cyanation for the photocatalytic reductive dehalogenation of chlorides". . p. 7151 - 7159. Retrieved 2021/11/17.
• 2、 Bi, Fangchao,Song, Di,Zhang, Nan,Liu, Zhiyang,Gu, Xinjie,Hu, Chaoyu,Cai, Xiaokang,Venter, Henrietta,Ma, Shutao. "Design, synthesis and structure-based optimization of novel isoxazole-containing benzamide derivatives as FtsZ modulators". . p. 90 - 103. Retrieved 2018/10/04.