2190-48-9

Basic information

• Product Name: 3-CHLORO-3-METHYL-1-BUTENE
• Synonyms: 1-butene,3-chloro-3-methyl-;2-chloro-2-methyl-3-butene;3-Chloro-3-methyl-1-butene;3-chloro-3-methyl-but-1-ene;3-Methyl-3-chloro-1-butene
• CAS NO: 2190-48-9
• Molecular Formula: C₅H₉Cl
• Molecular Weight: 104.58
• Mol File: 2190-48-9.mol
• Article Data: 13

Chemical Properties

• Boiling Point: 103.83°C (estimate)
• Appearance: /
• Density: 0.8786
• Vapor Pressure: 73.1mmHg at 25°C
• Refractive Index: 1.4167
• CAS DataBase Reference: 3-CHLORO-3-METHYL-1-BUTENE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-CHLORO-3-METHYL-1-BUTENE(2190-48-9)
• EPA Substance Registry System: 3-CHLORO-3-METHYL-1-BUTENE(2190-48-9)

Safety Data

• Hazardous Substances Data: 2190-48-9(Hazardous Substances Data)

Usage

General Description

3-Chloro-3-methyl-1-butene is a chemical compound with the molecular formula C5H9Cl. It is a colorless and flammable liquid with a chloro-substituted methyl group attached to the third carbon of a butene molecule. 3-CHLORO-3-METHYL-1-BUTENE is commonly used in organic synthesis and as a building block for the production of various organic compounds. Its properties make it useful for reactions such as alkylation, reduction, and addition reactions in the creation of pharmaceuticals, agrochemicals, and other fine chemicals. Additionally, it is also used in the production of specialty polymers and as a solvent in some industrial processes. However, due to its flammable nature and potential health hazards, proper safety measures and handling procedures should be followed when working with 3-chloro-3-methyl-1-butene.

InChI:InChI=1/C5H9Cl/c1-4-5(2,3)6/h4H,1H2,2-3H3

Upstream product

• 78-79-5 isoprene 
• 115-18-4 2-methyl-3-buten-2-ol 
• 7647-01-0 hydrogenchloride 
• 556-82-1 3-methyl-2-buten-1-ol 
• 7719-12-2 phosphorus trichloride 
• 2568-33-4 3-methyl-butane-1,3-diol 

Downstream Products

• 115-18-4 2-methyl-3-buten-2-ol 
• 556-82-1 3-methyl-2-buten-1-ol 
• 10276-04-7 3-methyl-1-phenylsulfanylbut-2-ene 
• 4489-84-3 3-methyl-1-phenylbut-2-ene 
• 503-60-6 3,3-dimethyl-allyl chloride 
• 1191-16-8 3-methylbut-2-enyl acetate 
• 24509-88-4 2-methyl-3-buten-2-yl acetate 
• 4490-10-2 geranyl chloride 
• 17465-54-2 1,2,3,5,6,7-hexahydro-1,1,5,5-tetramethyl-s-indacene 
• 138174-32-0 4,4-Dimethyl-1-phenyl-hex-5-en-1-one 
• 94227-04-0 6-methyl-1-phenyl-5-penten-1-one 
• 4786-23-6 4-methyl-3-pentenenitrile 
• 78-79-5 isoprene 
• 40426-44-6 3-methoxy-3-methyl-1-butene 

Relevant articles and documents

Design, total synthesis, and evaluation of novel open-chain epothilone analogues

The design, total synthesis, and biological evaluation of two open-chain analogues of epothilone incorporating the critical C1-C8 fragment and the aromatic side chain held together by a small molecular scaffold have been achieved. Biological evaluation revealed that further restraint between the flexible C1-C8 region and the molecular scaffold may be necessary for potent inhibition of cell proliferation.

Selective formation of chloroethane by the hydrochlorination of ethene using zinc catalysts

A detailed study of the hydrochlorination of ethene and higher alkenes using ZnCl2/SiO2 and ZnCl2/Al2O3 catalysts is described and discussed. Based on earlier observations that supported gold can be an active catalyst for both ethyne hydrochlorination and oxidation reactions, we initially investigated using supported gold as catalysts for the oxychlorination of ethene. However, we found that oxychlorination did not occur in the presence of oxygen and, furthermore, that the gold acted as a poison/inhibitor during the initial reaction period, with the underlying reaction being ethene hydrochlorination. Supported Zn2+ was found to be a very effective catalyst for this reaction. The hydrochlorination of higher alkenes occurred, with high selectivity to a range of relatively complex chlorinated hydrocarbon products at rates of ca. 10-13 mol/(kgcat h).

Method for synthesizing methyl heptenone from isopentenyl alcohol

The invention provides a method for synthesizing methyl heptenone from isopentenyl alcohol. The method comprises the following steps: (1) reacting isopentenyl alcohol with concentrated hydrochloric acid in the presence of a catalyst A, splitting phase for the reacting liquid, washing and distilling the organic phase to obtain a chloro mixture of 1-chloro-3-methyl-2-butene and 3-chloro-3-methyl-1-butene; (2) directly condensing the chloro mixture with acetone in the presence of a catalyst B to obtain a single product methyl heptenone. According to the method, isopentenyl alcohol is efficientlychlorinated in the presence of metal inorganic salt functioning as a catalyst and concentrated hydrochloric acid functioning as a chlorinating agent; the chlorinating reaction liquid is split and simply distilled to obtain the chlorinated mixture, operation steps of isomerization, rectification and the like are not required; alkali solution is promoted by using N,N-dimethyl formamide as a condensation solvent, and a phase transfer catalyst is not required to be added, the condensation time is reduced, and the reaction yield is improved.

EPOTHILONE ANALOGUES

Epothilone analogues include a molecular scaffold which holds at least one segment of epothilone in a predetermined orientation and which rigidities a region between the macrolactone ring and the aromatic side-chain.