72448-93-2

Basic information

• Product Name: 7-CHLORO-TRANS-2-HEPENOIC ACID ETHYL ESTER
• Synonyms: 7-Chloro-2-heptenoic acid ethyl ester;2-Heptenoic acid, 7-chloro-, ethyl ester;Ethyl 7-chlorohept-2-enoate
• CAS NO: 72448-93-2
• Molecular Formula: C9H15ClO2
• Molecular Weight: 190.67
• Mol File: 72448-93-2.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 255.074°C at 760 mmHg
• Flash Point: 114.509°C
• Appearance: /
• Density: 1.027g/cm³
• Vapor Pressure: 0.017mmHg at 25°C
• Refractive Index: 1.456
• CAS DataBase Reference: 7-CHLORO-TRANS-2-HEPENOIC ACID ETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 7-CHLORO-TRANS-2-HEPENOIC ACID ETHYL ESTER(72448-93-2)
• EPA Substance Registry System: 7-CHLORO-TRANS-2-HEPENOIC ACID ETHYL ESTER(72448-93-2)

Safety Data

• Hazardous Substances Data: 72448-93-2(Hazardous Substances Data)

Usage

General Description

7-Chloro-trans-2-hepenoic acid ethyl ester is a chemical compound with the molecular formula C8H13ClO2. It is a chloro-substituted carboxylic acid derivative and an ester, commonly used in organic synthesis and chemical research. It is identified as a clear, colorless to slightly yellow liquid, and is insoluble in water but soluble in organic solvents such as ethanol and ether. This chemical is used as a building block in the synthesis of various pharmaceuticals and agrochemicals, as well as in the production of flavors and fragrances. Its unique properties make it a versatile and valuable component in the chemical industry.

InChI:InChI=1/C9H15ClO2/c1-2-12-9(11)7-5-3-4-6-8-10/h5,7H,2-4,6,8H2,1H3/b7-5+

Upstream product

• 867-13-0 diethoxyphosphoryl-acetic acid ethyl ester 
• 20074-80-0 5-chloro-pentanal 
• 6139-84-0 4-chlorobutyraldehyde 
• 1099-45-2 ethyl (triphenylphosphoranylidene)acetate 
• 5259-98-3 5-chloropentan-1-ol 

Downstream Products

• 489-54-3 (1R,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.0^2,7.0^10,15]heptadecane-8,16-dione 

Relevant articles and documents

Stereocontrolled synthesis and alkylation of cyclic β-amino esters: Asymmetric synthesis of a (-)-sparteine surrogate

A convenient method for the stereoselective synthesis of cyclic β-amino esters from an iodo αβ-unsaturated ester and α-methylbenzylamine is described. Subsequent enolate generation and alkylation proceeds with complete stereocontrol, with the two stereogenic centres working together. In this way, a functionalised piperidine suitable for alkaloid natural product synthesis was prepared. The usefulness of the methodology is exemplified with the concise synthesis of a (-)-sparteine surrogate. The Royal Society of Chemistry.

Concise asymmetric synthesis of (-)-sparteine

A six-step asymmetric synthesis of natural (-)-sparteine from ethyl 7-iodohept-2-enoate is reported, involving a connective Michael addition of an amino ester-derived enolate to an α,β-unsaturated amino ester.

N-(4-methylbenzenesulfonyl)- pyrrolidines and piperidines by a tandem S(N)2-Michael addition reaction

A tandem S(N)2-Michael addition sequence has been developed for the preparation of N-(4-methylbenzenesulfonyl)- pyrrolidines and piperidines bearing functionalized side chains at C-2.