32399-48-7

Basic information

• Product Name: 2,4,6-Cycloheptatriene-1-carbonyl chloride (6CI,8CI,9CI)
• Synonyms: 2,4,6-Cycloheptatriene-1-carbonyl chloride (6CI,8CI,9CI)
• CAS NO: 32399-48-7
• Molecular Formula: C₈H₇ClO
• Molecular Weight: 154.59358
• Product Categories: ACIDHALIDE
• Mol File: 32399-48-7.mol
• Article Data: 2

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 2,4,6-Cycloheptatriene-1-carbonyl chloride (6CI,8CI,9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4,6-Cycloheptatriene-1-carbonyl chloride (6CI,8CI,9CI)(32399-48-7)
• EPA Substance Registry System: 2,4,6-Cycloheptatriene-1-carbonyl chloride (6CI,8CI,9CI)(32399-48-7)

Safety Data

• Hazardous Substances Data: 32399-48-7(Hazardous Substances Data)

Usage

General Description

2,4,6-Cycloheptatriene-1-carbonyl chloride is a chemical compound with the molecular formula C7H5ClO. It is a colorless to pale yellow liquid with a pungent odor, and it is primarily used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. It is also used as a reagent in organic synthesis, particularly in the production of carboxylic acids, esters, and amides. The compound is highly reactive and should be handled with caution due to its potential to cause irritation to the skin, eyes, and respiratory system. Additionally, it is a flammable liquid and should be stored and handled in a well-ventilated area away from ignition sources.

Upstream product

• 13612-59-4 cyclohepta-2,4,6-triene-1-carbonitrile 
• 27332-37-2 ethyl cyclohepta-2,4,6-trienecarboxylate 
• 4440-40-8 cyclohepta-2,4,6-trienecarboxylic acid 

Downstream Products

• 27332-45-2 2,4,6-Cycloheptatrien-1-yl-methylketon 
• 451-40-1 phenyl benzyl ketone 
• 97847-64-8 2,4,6-Cycloheptatrien-1-yl-phenylketon 
• 15598-84-2 9-Phenyl-9-hydroxy-tricyclo<3.3.2.0^2,8>decadien-(3,6) 
• 15719-09-2 tricyclo[3.3.2.0^2,8]deca-6,9-dien-4-one 
• 54549-58-5 9α-Formyl-barbaralan 
• 283-50-1 Bicyclo<3.3.2>decane 
• 53486-75-2 N-Methyl-7-cycloheptatriencarbonsaeureamid 
• 26902-48-7 cyclohepta-2,4,6-trienecarboxamide 
• 97847-94-4 2,4,6-Cycloheptatrien-1-yl-(4-methoxyphenyl)keton 
• 32399-49-8 N,N-dimethyl-1,3,5-cycloheptatriene-7-carboxamide 
• 6006-24-2 tricyclo<3.3.1.0^2,8>nona-3,6-dien-9-one 
• 25230-72-2 tropylium perchlorate 
• 104876-73-5 anti-3-(4-Methoxybenzoyl)-N-methyl-6,7-diaza-exo-tricyclo<3.2.2.0^2,4>non-8-en-6,7-dicarboximid 

Relevant articles and documents

Ion pair acidities and aggregation of some amide and oxazoline enolates in THF

Equilibrium lithium ion pair acidities at 25 °C have been determined in THF for the following acetamides: N,N-dimethyl-(4-biphenylyl)acetamide (1) (19.69), N,N-diethyl-(4-biphenylyl)acetamide (2) (20.30), N,N-dimethyl- diphenylacetamide (3) (20.76), N,N-diethyl-diphenylacetamide (4) (21.99), and 1-(diphenylmethylcarbonyl)pyrrolidine (5) (21.08). These acidity data compare well with those previously reported for the corresponding cesium enolates. Lithium and cesium ion pair acidities in THF are reported for two oxazolines: 2-(4-biphenylylmethyl)oxazoline (6) (Li, 21.53; Cs, 25.49) and (E)-(4S,5R)- 2-(4-biphenylylmethyl)-4-methoxymethyl-5-phenyloxazoline (7) (Li, 20.10; Cs 24.21). Studies of their acidities over a wide range of concentrations indicate that all of the lithium and cesium enolates of 1-7 are essentially monomeric at concentrations ranging from 10-3 to 10-4 M. Traces of dimer were detected for the lithium enolates of amides 1 and 2 and for the cesium enolate of oxazoline 6. Their dimerization constants (M-1) were found to be about 450, 200, and 150, respectively. All of the other lithium and cesium enolate probably form small amounts of dimer, but the dimerization constant of -1 is below the limit of precision of our spectroscopic method.