473924-31-1

Basic information

• Product Name: 2-chloro-1-cyclopropylbutane-1,3-dione
• Synonyms: 2-chloro-1-cyclopropylbutane-1,3-dione;2-Chloro-1-cyclopropyl-1,3-butanedione;1,3-Butanedione, 2-chloro-1-cyclopropyl-
• CAS NO: 473924-31-1
• Molecular Formula: C₇H₉ClO₂
• Molecular Weight: 160.59816
• Mol File: 473924-31-1.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 220℃
• Flash Point: 88℃
• Appearance: /
• Density: 1.270
• Vapor Pressure: 0.114mmHg at 25°C
• Refractive Index: 1.5
• CAS DataBase Reference: 2-chloro-1-cyclopropylbutane-1,3-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 2-chloro-1-cyclopropylbutane-1,3-dione(473924-31-1)
• EPA Substance Registry System: 2-chloro-1-cyclopropylbutane-1,3-dione(473924-31-1)

Safety Data

• Hazardous Substances Data: 473924-31-1(Hazardous Substances Data)

Usage

General Description

2-chloro-1-cyclopropylbutane-1,3-dione is a chemical compound that is a cyclopropylketone derivative. It is a highly reactive compound that is used in organic synthesis as a building block for the preparation of various pharmaceuticals and agrochemicals. The presence of the chlorine and cyclopropyl groups in the molecule makes it a versatile intermediate for the synthesis of various organic compounds. 2-chloro-1-cyclopropylbutane-1,3-dione is also used as a reagent in the creation of complex organic compounds and can undergo various reactions such as nucleophilic addition and substitution reactions. Its unique structure and reactivity make it an important compound in the field of organic chemistry.

InChI:InChI=1/C7H9ClO2/c1-4(9)6(8)7(10)5-2-3-5/h5-6H,2-3H2,1H3

Upstream product

• 21573-10-4 1-cyclopropyl-butane-1,3-dione 

Downstream Products

• 675198-31-9 5-[1-(cyclopropylcarbonyl)-2-oxopropoxy]isophtalonitrile 
• 913346-12-0 4-[1-(cyclopropylcarbonyl)-2-oxopropoxy]-2,6-dimethylbenzonitrile 
• 1278472-70-0 1-(cyclopropyl)-2-(4-cyano-[⁽²⁾H₆]3,5-dimethyl-[2,6-⁽²⁾H₂]phenoxy)-1,3-butanedione 

Relevant articles and documents

Development of a Practical Synthesis of the Progesterone Receptor Antagonist 4-{[3-Cyclopropyl-1-(mesylmethyl)-5-methyl-1H-pyrazol-4-yl]oxy}-2,6- dimethylbenzo-nitrile

The development and implementation of a scaleable process for the manufacture of the nonsteroidal progesterone receptor antagonist 8 is described. Key aspects of the synthesis include (i) a telescoped chlorination- etherification sequence to prepare diket

Compounds Useful In Therapy

Compounds of Formula (I): and pharmaceutically acceptable salts, solvates (including hydrates) of said compounds and salts, or prodrugs of said compound, or pharmaceutically acceptable salts or solvates of said prodrugs, wherein the substituents are as herein defined, are useful in therapy, for example they may be useful for treating progesterone-mediated conditions such as endometriosis, uterine fibroids (leiomyomata), menorrhagia, adenomyosis, primary and secondary dysmenorrhoea (including symptoms of dyspareunia, dyschexia and chronic pelvic pain), or chronic pelvic pain syndrome.

Compounds useful in therapy

Compounds of formula (I), [image] or pharmaceutically acceptable derivatives thereof, wherein: R1 represents H, C1-6-alkyl, C1-6alkyloxy, C3-8cycloalkyl, or halo; R2 represents H, C1-6alkyl (optionally substituted by R3), phenyl (optionally substituted by CN), or Het; R3 represents OH, CN, Het, —R4—C1-6alkyl, or CONR5R6; R4 represents —CO2—, or —O—; R5 and R6 independently represent H, C1-6alkyl (optionally substituted by OR7) or C3-8cycloalkyl; R7 represents H or C1-6alkyl; Het represents a five or six membered aromatic heterocyclic group containing (i) from one to four nitrogen heteroatom(s) or (ii) one or two nitrogen heteroatom(s) and one oxygen or one sulphur heteroatom or (iii) one or two oxygen or sulphur heteroatom(s), said heterocyclic group being optionally substituted by one or more groups selected from CN and C1-6 alkyl; R8 represents C1-6alkyl, C1-6alkyloxy, C3-8cycloalkyl, or halo; R9 and R10 independently represent H, C1-6alkyl, C1-6alkyloxy, CN, CF3 or halo; may be useful for treating endometriosis, uterine fibroids (leiomyomata), menorrhagia, adenomyosis, primary and secondary dysmenorrhoea (including symptoms of dyspareunia, dyschexia and chronic pelvic pain), or chronic pelvic pain syndrome.