1-Propanone, 2-chloro-2-methyl-1-phenyl-

Base Information

• Chemical Name: 1-Propanone, 2-chloro-2-methyl-1-phenyl-
• CAS No.: 7473-99-6
• Molecular Formula: C10H11ClO
• Molecular Weight: 182.65
• Hs Code.: 2914700090
• European Community (EC) Number: 231-273-6
• NSC Number: 401745,5668
• UNII: CDC25Z3BYJ
• DSSTox Substance ID: DTXSID9064714
• Nikkaji Number: J278.879I
• Wikidata: Q81991770
• Mol file: 7473-99-6.mol

Synonyms:7473-99-6;1-Propanone, 2-chloro-2-methyl-1-phenyl-;2-Chloro-2-methylpropiophenone;1-Phenyl-2-chloro-2-methyl-1-propanone;2-chloro-2-methyl-1-phenylpropan-1-one;NSC 5668;alpha-chloroisobutyrophenone;NSC-5668;EINECS 231-273-6;NSC 401745;NSC-401745;2-chloro-2-methyl-1-phenyl-1-propanone;CDC25Z3BYJ;SCHEMBL1445897;DTXSID9064714;NSC5668;Propiophenone, 2-chloro-2-methyl-;NSC401745;alpha-Chloro-alpha-methylpropiophenone

Chemical Property of 1-Propanone, 2-chloro-2-methyl-1-phenyl-

Chemical Property:

• Vapor Pressure: 0.0191mmHg at 25°C
• Boiling Point: 252.7°C at 760 mmHg
• Flash Point: 132.4°C
• PSA: 17.07000
• Density: 1.104g/cm³
• LogP: 2.88670
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 182.0498427
• Heavy Atom Count: 12
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-2'-methylpropiophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1-Propanone, 2-chloro-2-methyl-1-phenyl-

There total 10 articles about 1-Propanone, 2-chloro-2-methyl-1-phenyl- 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: 98.0%

2,2,5,5-tetramethyl-4-phenyl-3-imidazolin-1-oxyl (39753-69-0) → α-chloroisobutyrophenone (7473-99-6)

Guidance literature:

With chlorine; In chloroform; for 1h;

DOI:10.1007/BF01417988

Reference yield: 95.1%

2-chloroisobutyryl chloride (13222-26-9) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → α-chloroisobutyrophenone (7473-99-6)

Guidance literature:

With aluminum (III) chloride; at 5 ℃; for 6h; Temperature;

Reference yield: 92.0%

2,2-dimethyl-3-phenyl-3-oxopropanoic acid (38744-73-9) → α-chloroisobutyrophenone (7473-99-6)

Guidance literature:

With tert-butylhypochlorite; silver triflate-bis(1,10-phenanthroline) complex; In acetonitrile; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1021/ja210361z

upstream raw materials:

phenyl isopropyl ketone

2-Chloro-3,3-dimethyl-2-phenyl-oxirane

2,2,5,5-tetramethyl-4-phenyl-3-imidazolin-1-oxyl

benzene

Downstream raw materials:

2-methyl-2-phenylpropionic acid

2-hydroxy-2-methylpropiophenone

α-chloro-β,β-dimethylstyrene

1-Phenyl-2-methyl-1-propenyl Chloroformate

Refernces

• 1、 -. "Preparing method of photoinitiator 2-methyl-2-hydroxy-1-phenylacetone". Page/Page column 4-6. . Retrieved 2019/04/30.
• 2、 Takeuchi, Kentaro,Ishida, Syo,Nishikata, Takashi. "Dichloromethane as a chlorination reagent for α-bromocarbonyl compounds in the presence of a copper catalyst". supporting information. p. 644 - 646. Retrieved 2017/08/30.