4830-94-8

Basic information

• Product Name: Benzene, (3-chlorobutyl)-
• CAS NO: 4830-94-8
• Molecular Formula: C10H13Cl
• Molecular Weight: 168.666
• Mol File: 4830-94-8.mol
• Article Data: 24

Chemical Properties

• CAS DataBase Reference: Benzene, (3-chlorobutyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzene, (3-chlorobutyl)-(4830-94-8)
• EPA Substance Registry System: Benzene, (3-chlorobutyl)-(4830-94-8)

Safety Data

• Hazardous Substances Data: 4830-94-8(Hazardous Substances Data)

Upstream product

• 187737-37-7 propene 
• 100-44-7 benzyl chloride 
• 153357-82-5 (R)-N,N-di-(p-toluenesulfonyl)-1-methyl-3-phenylpropylamine 
• 104-51-8 1-butylbenzene 
• 2550-26-7 4-Phenyl-2-butanone 
• 1053233-84-3 1-phenyl-3-(chlorodimethylsiloxy)butane 
• 75803-21-3 1-methyl-3-phenylpropyl methanesulfonate 
• 104-53-0 3-phenyl-propionaldehyde 
• 75-16-1 methylmagnesium bromide 
• 2344-70-9 1-phenyl-3-butanol 
• 98-07-7 Benzotrichlorid 
• 75-36-5 acetyl chloride 
• 122-97-4 3-Phenyl-1-propanol 
• 98-88-4 benzoyl chloride 

Downstream Products

• 1520-44-1 1,3-diphenylbutane 
• 73475-33-9 2-methyl-4-phenylbutanenitrile 
• 1257661-35-0 4’,4’,5’,5’-tetramethyl-2’-(1-phenylbutan-3-yl)-1’,3’,2’-dioxaborolane 
• 767-58-8 1-methylindane 
• 104-51-8 1-butylbenzene 
• 1560-06-1 1-phenyl-2-butene 
• 935-00-2 trans-4-phenyl-2-butene 
• 89881-68-5 dimethyl(phenyl)(4-phenylbutan-2-yl)silane 

Relevant articles and documents

Ferric chloride–catalyzed deoxygenative chlorination of carbonyl compounds: A comparison of chlorodimethylsilane and dichloromethylsilane system

Deoxygenative chlorination of carbonyl compounds using the HMe2SiCl/FeCl3/EtOAc and HMeSiCl2/FeCl3/EtOAc systems has been systemically investigated. The HMe2SiCl-FeCl3 system showed the advantages of good substrate applicability, mild reaction conditions, simple operation, low cost, and easy availability of raw materials. Also, it provided a simple and efficient synthesis route for carbonyl deoxychlorination via a one-pot method. Using the HMeSiCl2/FeCl3/EtOAc system, the β-methylchalcone derivative could be obtained in good yields in addition to obtaining the chlorinated compound. Finally, two plausible reaction routes were proposed to describe the formation of the chlorinated compound and the β-methylchalcone derivative.

Organocatalytic Chlorination of Alcohols by P(III)/P(V) Redox Cycling

A catalytic system for the chlorination of alcohols under Appel conditions was developed. Benzotrichloride is used as a cheap and readily available chlorinating agent in combination with trioctylphosphane as the catalyst and phenylsilane as the terminal reductant. The reaction has several advantages over other variants of the Appel reaction, e.g., no additional solvent is required and the phosphane reagent is used only in catalytic amounts. In total, 27 different primary, secondary, and tertiary alkyl chlorides were synthesized in yields up to 95%. Under optimized conditions, it was also possible to convert epoxides and an oxetane to the dichlorinated products.

Nucleophilic Substitutions of Alcohols in High Levels of Catalytic Efficiency

A practical method for the nucleophilic substitution (SN) of alcohols furnishing alkyl chlorides, bromides, and iodides under stereochemical inversion in high catalytic efficacy is introduced. The fusion of diethylcyclopropenone as a simple Lewis base organocatalyst and benzoyl chloride as a reagent allows notable turnover numbers up to 100. Moreover, the use of plain acetyl chloride as a stoichiometric promotor in an invertive SN-type transformation is demonstrated for the first time. The operationally straightforward protocol exhibits high levels of stereoselectivity and scalability and tolerates a variety of functional groups.