3'-Chloroacetophenone

Base Information

• Chemical Name: 3'-Chloroacetophenone
• CAS No.: 99-02-5
• Molecular Formula: C8H7ClO
• Molecular Weight: 154.596
• Hs Code.: 29147090
• European Community (EC) Number: 202-721-8
• DSSTox Substance ID: DTXSID8059182
• Nikkaji Number: J100.178G
• Wikidata: Q26840979
• Mol file: 99-02-5.mol

Synonyms:2 Chloro 1 phenylethanone;2 Chloroacetophenone;2-Chloro-1-phenylethanone;2-Chloroacetophenone;3' Chloroacetophenone;3'-Chloroacetophenone;alpha Chloroacetophenone;alpha-Chloroacetophenone;Chloracetophenone;Chloroacetophenone;Mace;omega Chloroacetophenone;omega-Chloroacetophenone

Chemical Property of 3'-Chloroacetophenone

Chemical Property:

• Appearance/Colour: clear colourless to yellow liquid
• Refractive Index: n20/D 1.550(lit.)
• Boiling Point: 228 °C at 760 mmHg
• Flash Point: 106.3 °C
• PSA: 17.07000
• Density: 1.184 g/cm³
• LogP: 2.54260
• Storage Temp.: Store below +30°C.
• Sensitive.: Lachrymatory
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 154.0185425
• Heavy Atom Count: 10
• Complexity: 133

Purity/Quality:

99% ^*data from raw suppliers

3’-Chloroacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-36-20/21/22
• Safety Statements: 26-36-37/39-36/37/39-13-7/9

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC(=CC=C1)Cl
• Uses: 3'-Chloroacetophenone can be used as a raw material for pharmaceutical synthesis, mainly for the synthesis of carbamazepine, a drug for the treatment of epilepsy, and as an intermediate for fine chemicals, pesticides, etc.

Technology Process of 3'-Chloroacetophenone

There total 74 articles about 3'-Chloroacetophenone 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: 99.0%

1-(m-Chlorophenyl)ethanol (120121-01-9,135145-34-5,6939-95-3) → 3'-Chloroacetophenone (99-02-5)

Guidance literature:

With iodosylbenzene; N,N'-bis(3,5-dichlorosalicylidene)-1,2-ethylenediamino-MnCl; In acetonitrile; at 20 ℃; for 1h;

DOI:10.1081/SCC-120026321

Reference yield: 93.0%

1-(3-chlorophenyl)ethanone oxime (24280-07-7) → 3'-Chloroacetophenone (99-02-5)

Guidance literature:

With NTPPPODS; In water; acetonitrile; for 0.333333h; Reflux;

DOI:10.1080/10426500701648051

Reference yield: 93.0%

(E)-1-(3-chlorophenyl)ethan-1-one oxime → 3'-Chloroacetophenone (99-02-5)

Guidance literature:

With iron(III) chloride; In N,N-dimethyl-formamide; at 25 ℃; for 0.75h; sonication;

upstream raw materials:

N-ethyl-N-hydroxy-ethanamine

3-chlorobenzenediazonium

1-(m-Chlorophenyl)ethanol

3-chloroethylbenzene

Downstream raw materials:

C₈H₈⁽²⁾HClO

1-(3-chlorophenyl)-4,4,4-trifluorobutane-1,3-dione

(E)-3-{4-[(E)-3-(3-Chloro-phenyl)-3-oxo-propenyl]-1-methyl-1H-pyrrol-2-yl}-acrylic acid

1-(m-Chlorophenyl)ethanol

Refernces

• 1、 Upadhyay, Rahul,Kumar, Shashi,Maurya, Sushil K.. "V2O5@TiO2 Catalyzed Green and Selective Oxidation of Alcohols, Alkylbenzenes and Styrenes to Carbonyls". . p. 3594 - 3600. Retrieved 2021/07/02.
• 2、 Uraguchi, Daisuke,Kato, Kohsuke,Ooi, Takashi. "o-Quinone methide with overcrowded olefin component as a dehydridation catalyst under aerobic photoirradiation conditions". . p. 2778 - 2783. Retrieved 2021/03/14.