946-02-1

Basic information

• Product Name: 4-CHLOROBUTYL BENZOATE
• Synonyms: TIMTEC-BB SBB006654;BENZOIC ACID 4-CHLORO-N-BUTYL ESTER;4-CHLOROBUTYL BENZOATE;4-Chlorobutyl benzoate,97%;1-Butanol, 4-chloro-, 1-benzoate
• CAS NO: 946-02-1
• Molecular Formula: C₁₁H₁₃ClO₂
• Molecular Weight: 212.67
• Product Categories: C10 to C11;Carbonyl Compounds;Esters
• Mol File: 946-02-1.mol
• Article Data: 37

Chemical Properties

• Boiling Point: 176-178 °C20 mm Hg(lit.)
• Flash Point: >230 °F
• Appearance: /
• Density: 1.143 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.000874mmHg at 25°C
• Refractive Index: n20/D 1.519(lit.)
• CAS DataBase Reference: 4-CHLOROBUTYL BENZOATE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-CHLOROBUTYL BENZOATE(946-02-1)
• EPA Substance Registry System: 4-CHLOROBUTYL BENZOATE(946-02-1)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• Hazardous Substances Data: 946-02-1(Hazardous Substances Data)

Usage

Chemical Properties

clear colorless liquid

Synthesis Reference(s)

The Journal of Organic Chemistry, 47, p. 1215, 1982 DOI: 10.1021/jo00346a015

InChI:InChI=1/C11H13ClO2/c12-8-4-5-9-14-11(13)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2

Upstream product

• 109-99-9 tetrahydrofuran 
• 98-88-4 benzoyl chloride 
• 5435-44-9 (E)-3-Ureido-but-2-enoic acid ethyl ester 
• 65-85-0 benzoic acid 
• 7646-78-8 tin(IV) chloride 
• 71-43-2 benzene 
• 37693-18-8 4-chlorobutyl chloroformate 
• 37952-93-5 N-benzoyl saccharin 
• 110-56-5 1,4-dichlorobutane 
• 120-80-9 benzene-1,2-diol 
• 94-36-0 dibenzoyl peroxide 
• 98-80-6 phenylboronic acid 
• 618-32-6 Benzoyl bromide 
• 6334-96-9 bis-(4-chlorobutyl)ether 

Downstream Products

• 3360-41-6 4-phenyl-butan-1-ol 
• 77298-35-2 δ-cyanobutyl benzoate 
• 1184934-40-4 4-azidobutyl benzoate 
• 874946-60-8 3,6-di(4'-benzoyloxybutyl)phthalonitrile 
• 75415-95-1 1-(4-benzoyloxybutyl)4-thiouracil 
• 114092-91-0 Benzoic acid 4-benzenesulfonyl-butyl ester 
• 114092-90-9 4-phenylthiobutyl benzoate 
• 109410-89-1 2-[2-(4-benzoyloxy-butoxy)-ethoxy]-ethanol 
• 119417-06-0 1,15-bis-benzoyloxy-5,8,11-trioxa-pentadecane 
• 854465-37-5 1-benzoyloxy-4-methylsulfanyl-butane 

Relevant articles and documents

One-pot synthesis of ω-chloroesters via the reaction of acid chlorides with tetrahydrofuran in the presence of trichloroborane

The reaction of acid chlorides with tetrahydrofuran in the presence of trichloroborane produces ω-chloroesters in excellent yields.

Preparation method of p-phenylbutoxybenzoic acid

The invention discloses a preparation method of p-phenylbutoxybenzoic acid. The preparation method comprises the following steps: using tetrahydrofuran as an initial raw material; carrying out a catalytic reaction with benzoyl chloride to prepare 4-chlorobutanol benzoate; carrying out a Friedel-Crafts alkylation reaction and hydrolysis on 4-chlorobutanol benzoate and benzene to obtain 4-phenylbutanol, carrying out a reaction on the 4-phenylbutanol and thionyl chloride to obtain 4-phenylchlorobutane, carrying out an alkylation reaction on the 4-phenylchlorobutane and methyl p-hydroxybenzoate under the action of potassium carbonate to obtain methyl p-phenylbutoxybenzoate. The raw materials used in the invention are cheap and easily available, the process is easy to realize industrialization,and the obtained final product has the advantages of high purity, novel route, short synthesis route, no dangerous process and simple equipment.

A Straightforward Conversion of Activated Amides and Haloalkanes into Esters under Transition-Metal-Free Cs 2 CO 3 /DMAP Conditions

The esterification of activated amides, N -acylsaccharins, under transition-metal-free conditions with good functional group tolerance has been developed, resulting in C-N cleavage leading to efficient synthesis of a variety of esters in moderate to good yields. This work demonstrates that esterification may proceed by using simple N -acylsaccharins, haloalkanes, and Cs 2 CO 3 as oxygen source.