946-01-0

Basic information

• Product Name: 6-CHLORO-1-OXO-1-PHENYLHEXANE
• Synonyms: 6-CHLORO-1-OXO-1-PHENYLHEXANE
• CAS NO: 946-01-0
• Molecular Formula: C₁₂H₁₅ClO
• Molecular Weight: 210.7
• Mol File: 946-01-0.mol
• Article Data: 16

Chemical Properties

• Melting Point: 29-30 °C
• Boiling Point: 319.7°C at 760 mmHg
• Flash Point: 177.7°C
• Appearance: /
• Density: 1.062g/cm³
• Vapor Pressure: 0.000332mmHg at 25°C
• Refractive Index: 1.513
• CAS DataBase Reference: 6-CHLORO-1-OXO-1-PHENYLHEXANE(CAS DataBase Reference)
• NIST Chemistry Reference: 6-CHLORO-1-OXO-1-PHENYLHEXANE(946-01-0)
• EPA Substance Registry System: 6-CHLORO-1-OXO-1-PHENYLHEXANE(946-01-0)

Safety Data

• Hazardous Substances Data: 946-01-0(Hazardous Substances Data)

Usage

InChI:InChI=1/C12H15ClO/c13-10-6-2-5-9-12(14)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2

Upstream product

• 20614-61-3 cyclohexyl-1-phenyl-1-hydroperoxide 
• 827-52-1 1-phenyl-1-cyclohexane 
• 2009-83-8 6-chloro-1-hexanol 
• 17763-67-6 Phenyl triflate 
• 13735-81-4 1-styrenyloxytrimethylsilane 
• 138344-51-1 5-Chloro-N,O-dimethylvaleric acid amide 
• 100-58-3 phenylmagnesium bromide 
• 19347-73-0 6-chlorohexanoyl chloride 
• 13466-32-5 acetophenone dimethylhydrazone 
• 54512-75-3 1-bromo-5-chloropentane 
• 98-88-4 benzoyl chloride 
• 35843-79-9 (6-chloro-1-hexyn-1-yl)benzene 
• 95-55-6 2-amino-phenol 
• 100-52-7 benzaldehyde 

Downstream Products

• 116849-55-9 ε-piperidinohexanophenone 
• 1452523-48-6 C₁₆H₂₄ClNOS 
• 39234-05-4 1-methyl-1-(6-oxo-6-phenyl-hexyl)-piperidinium; iodide 
• 39234-01-0 1-phenyl-6-piperidino-hexan-1-one; hydrochloride 
• 408318-36-5 2-phenylcyclohex-1-ene-1carbonitrile 
• 188971-75-7 4-amino-5-chloro-2-methoxy-N-((1-(6-oxo-6-phenylhexyl)piperidin-4-yl)methyl)benzamide 
• 71919-91-0 ε-iodohexanophenone 
• 69573-43-9 6-azido-1-phenylhexan-1-one 
• 82777-11-5 6-bromo-1-phenyl-1-hexanone 
• 5422-88-8 phenyl cyclopentyl ketone 
• 1225381-34-9 1-phenyl-6-(4-methoxyphenyl)-1-hexanone 
• 1218989-35-5 (S,E)-N-(6-chloro-1-phenylhexylidene)-2-methylpropane-2-sulfinamide 
• 3338-00-9 2-phenyl-4,5,6,7-tetrahydro-3H-azepine 
• 39755-14-1 7-oxo-7-phenylheptanenitrile 

Relevant articles and documents

Copper-catalyzed radical ring-opening halogenation with HX

An efficient copper-catalyzed radical ring-opening halogenation with HX (aq) is described. This protocol features redox-neutral conditions, green halogen sources, and a broad substrate scope, providing practical access to distally chlorinated, brominated and iodinated alkyl ketones and alkyl nitriles with moderate to good yields. This journal is

Visible-light-promoted site-specific and diverse functionalization of a c(sp3)-c(sp3) bond adjacent to an arene

We report here a strategy for inert C-C bond functionalization. Site-specific cleavage and functionalization of a saturated C(sp3)-C(sp3) bond via a visible-light-induced radical process have been achieved. The general features of this reaction are as follows. (1) Both linear and cyclic C(sp3)-C(sp3) bonds with a vicinal arene can be specifically functionalized. (2) One carbon is converted into a ketone, and another can be tunably converted into nitrile, peroxide, or halide. (3) The typical conditions include 1.0 mol % of Ru(bpy)3Cl2, 1.0 or 5.0 equiv of Zhdankin reagent, white CFL (24 W), open flask, and room temperature. These reactions offer powerful tools to modify carbon skeletons that are intractable by conventional methods. Good selectivity and functional group tolerance, together with mild and open air conditions, make these transformations valuable and attractive.

Ketone Synthesis by a Nickel-Catalyzed Dehydrogenative Cross-Coupling of Primary Alcohols

An intermolecular coupling of primary alcohols and organotriflates has been developed to provide ketones by the action of a Ni(0) catalyst. This oxidative transformation is proposed to occur by the union of three distinct catalytic cycles. Two competitive oxidation processes generate aldehyde in situ via hydrogen transfer oxidation or (pseudo)dehalogenation pathways. As aldehyde forms, a Ni-catalyzed carbonyl-Heck process enables formation of the key carbon-carbon bond. The utility of this rare alcohol to ketone transformation is demonstrated through the synthesis of diverse complex and bioactive molecules.