4635-59-0

Basic information

• Product Name: 4-Chlorobutyryl chloride
• Synonyms: 4-chloro-butanoylchlorid;4-Chlorobutyl chloride;4-chloro-butyrylchlorid;-Chlorobutyrylchloride;gamma-chlorobutyroylchloride;gamma-Chlorobutyryl chloride;gamma-chlorobutyrylchloride;gamma-Chloro-n-butyryl chloride
• CAS NO: 4635-59-0
• Molecular Formula: C₄H₆Cl₂O
• Molecular Weight: 141
• EINECS: 225-059-1
• Product Categories: ACID CHLORIDES;Acid Halides;Carbonyl Compounds;Organic Building Blocks;Acid Halides;Building Blocks;Carbonyl Compounds;Chemical Synthesis;Organic Building Blocks
• Mol File: 4635-59-0.mol
• Article Data: 35

Chemical Properties

• Melting Point: -47 °C
• Boiling Point: 173-174 °C(lit.)
• Flash Point: 163 °F
• Appearance: Clear colorless to yellow/Liquid
• Density: 1.26 g/mL at 25 °C(lit.)
• Vapor Pressure: 3 mm Hg ( 20 °C)
• Refractive Index: n20/D 1.461(lit.)
• Storage Temp.: Store below +30°C.
• Explosive Limit: 5.5-11.7%(V)
• Water Solubility: soluble in diethyl ether, ethanol, slightly soluble in water.
• Sensitive: Moisture Sensitive
• BRN: 773860
• CAS DataBase Reference: 4-Chlorobutyryl chloride(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Chlorobutyryl chloride(4635-59-0)
• EPA Substance Registry System: 4-Chlorobutyryl chloride(4635-59-0)

Safety Data

• Hazard Codes: T,C
• Statements: 22-23-35
• Safety Statements: 26-28-36/37/39-45-28A
• RIDADR: UN 3390 6.1/PG 1
• WGK Germany: 1
• RTECS: EM1406000
• TSCA: Yes
• HazardClass: 6.1
• PackingGroup: II
• Hazardous Substances Data: 4635-59-0(Hazardous Substances Data)

Usage

Chemical Properties

Clear colorless to yellow liquid

Uses

Different sources of media describe the Uses of 4635-59-0 differently. You can refer to the following data:
1. 4-Chlorobutyroyl Chloride is used in the preparation of mitosene and mitosane analogs of Mitomycin C (M371900), an antitumor antibiotic. .
2. 4-Chlorobutyryl chloride (4-CBCl) is mainly used in the production of pharmaceuticals and agrochemicals. It is used as pyrazinamide intermediate.

Flammability and Explosibility

Nonflammable

InChI:InChI=1/C4H6Cl2O/c5-3-1-2-4(6)7/h1-3H2

Upstream product

• 96-48-0 4-butanolide 
• 56-23-5 tetrachloromethane 
• 75-44-5 phosgene 
• 4885-02-3 Dichloromethyl methyl ether 
• 98-07-7 Benzotrichlorid 
• 627-00-9 γ-chlorobutyric acid 
• 141-75-3 butyryl chloride 
• 107-92-6 butyric acid 
• 55133-95-4 C₁₀H₂₄O₃Si₂ 
• 201230-82-2 carbon monoxide 
• 75-19-4 cyclopropane 
• 71-43-2 benzene 
• 7791-25-5 sulfuryl dichloride 
• 94-36-0 dibenzoyl peroxide 

Downstream Products

• 79386-90-6 1,5-Dichloro-2-pentanone 
• 69966-83-2 4-chloro-1-(morpholin-4-yl)butan-1-one 
• 191168-66-8 N-(p-tolyl)-4-chlorobutyramide 
• 7152-03-6 p-methoxyphenyl cyclopropyl ketone 
• 22813-58-7 N,N-dimethyl-4-chlorobutyramide 
• 56794-28-6 4-chloro-N,N-diethylbutyramide 
• 7578-45-2 N-phenyl-4-chlorobutyramide 
• 6640-25-1 4-chlorophenyl cyclopropyl ketone 
• 22813-61-2 N-benzyl-4-chlorobutanamide 
• 3874-54-2 4-(4-fluorophenyl)-4-oxo-n-butyl chloride 
• 29882-07-3 4-chlorobutanal dimethyl acetal 
• 500730-11-0 4-chloro-butyric acid-(2-nitro-benzylamide) 
• 939-52-6 4-chloro-1-phenylbutan-1-one 
• 6139-84-0 4-chlorobutyraldehyde 

Relevant articles and documents

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Monoterpenoid-based inhibitors of filoviruses targeting the glycoprotein-mediated entry process

In this study, we screened a large library of (+)-camphor and (?)-borneol derivatives to assess their filovirus entry inhibition activities using pseudotype systems. Structure-activity relationship studies revealed several compounds exhibiting submicromolar IC50 values. These compounds were evaluated for their effect against natural Ebola virus (EBOV) and Marburg virus. Compound 3b (As-358) exhibited the good antiviral potency (IC50 = 3.7 μM, SI = 118) against Marburg virus, while the hydrochloride salt of this compound 3b·HCl had a strong inhibitory effect against Ebola virus (IC50 = 9.1 μM, SI = 31) and good in vivo safety (LD50 > 1000 mg/kg). The results of molecular docking and in vitro mutagenesis analyses suggest that the synthesized compounds bind to the active binding site of EBOV glycoprotein similar to the known inhibitor toremifene.

Method for long-term stable preparation of 4-chlorobutyryl chloride

The invention relates to a synthesis method of 4-chlorobutyryl chloride, which is characterized in that gamma-butyrolactone and di (trichloromethyl) carbonate are used as reaction raw materials, and aspecific amine catalyst is used for chlorination reaction to obtain the 4-chlorobutyryl chloride. Wherein the amine catalyst is an intercalation product obtained after aluminum dihydrogen tripolyphosphate reacts with a complex of organic amine and copper, and the structure is disclosed in the invention, and R is alkyl and aryl.