1-(3-Chlorophenyl)-1,2-propanedione

Base Information

• Chemical Name: 1-(3-Chlorophenyl)-1,2-propanedione
• CAS No.: 10557-17-2
• Molecular Formula: C9H7ClO2
• Molecular Weight: 182.60400
• Hs Code.: 2914700090
• Mol file: 10557-17-2.mol

Synonyms:1-(3-chlorophenyl)-1,2-propanedione;1,2-Propanedione,1-(3-chlorophenyl);

Chemical Property of 1-(3-Chlorophenyl)-1,2-propanedione

Chemical Property:

• Boiling Point: 100-102 °C(Press: 4 Torr)
• PSA: 34.14000
• Density: 1.2750 g/cm3
• LogP: 2.11170
• Storage Temp.: -20?C Freezer
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)

Purity/Quality:

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

1-(3-Chlorophenyl)-1,2-propanedione ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Uses: A metabolite of Bupropion (B689625). 1-(3-Chlorophenyl)-1,2-propanedione is a metabolite of Bupropion (B689625). Bupropion USP Related Compound E.

Technology Process of 1-(3-Chlorophenyl)-1,2-propanedione

There total 5 articles about 1-(3-Chlorophenyl)-1,2-propanedione 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: 74.0%

(E)-1-(3-chlorophenyl)-2-(methoxyimino)propan-1-one (1346260-42-1) → 1-(3-chlorophenyl)propane-1,2-dione (10557-17-2)

Guidance literature:

With hydrogenchloride; formaldehyd; water; In ethanol; at 80 ℃; for 0.2h; Microwave irradiation;

DOI:10.1055/s-0030-1260156

Reference yield: 64.0%

nitromethane (75-52-5) + 3-Chlorostyrene (2039-85-2,26100-04-9) → 1-(3-chlorophenyl)propane-1,2-dione (10557-17-2)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); oxygen; palladium diacetate; sodium carbonate; at 120 ℃; for 20h; under 6080.41 Torr; Autoclave;

DOI:10.1021/jo201029p

Reference yield:

3'-chloro-propiophenone (34841-35-5) → 1-(3-chlorophenyl)propane-1,2-dione (10557-17-2)

Guidance literature:

3'-chloro-propiophenone; With [hydroxy(p-nitrobenezenesulfonyloxy)iodo]benzene; In acetonitrile; for 1h; Reflux;

With pyridine N-oxide; In toluene; for 2h; Reflux;

DOI:10.1002/adsc.201000680

upstream raw materials:

3'-chloro-propiophenone

nitromethane

3-Chlorostyrene

(E)-1-(3-chlorophenyl)-2-(methoxyimino)propan-1-one

Refernces

• 1、 Wang, Azhong,Jiang, Huanfeng,Li, Xianwei. "Palladium-catalyzed carbonation-diketonization of terminal aromatic alkenes via carbon-nitrogen bond cleavage for the synthesis of 1,2-diketones". supporting information; experimental part. p. 6958 - 6961. Retrieved 2011/10/02.