74530-56-6

Basic information

• Product Name: TERT-BUTYL-4-CHLORO-3-OXOBUTANOATE
• Synonyms: TERT-BUTYL-4-CHLORO-3-OXOBUTANOATE;tert-butyl 4-chloro-3-oxobutyrate;4-Chloro-3-oxobutyric acid tert-butyl ester;tert.-Butyl-4-chloroacetoacetate,85%;t-Butyl 4-Chloroacetoacetate;Butanoic acid,4-chloro-3-oxo-, 1,1-dimethylethyl ester
• CAS NO: 74530-56-6
• Molecular Formula: C₈H₁₃ClO₃
• Molecular Weight: 192.64
• EINECS: 277-910-1
• Mol File: 74530-56-6.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 230.5°C at 760 mmHg
• Flash Point: 87°C
• Appearance: /
• Density: 1.115g/cm³
• Vapor Pressure: 0.0657mmHg at 25°C
• Refractive Index: 1.442
• Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
• Solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• PKA: 9.58±0.46(Predicted)
• CAS DataBase Reference: TERT-BUTYL-4-CHLORO-3-OXOBUTANOATE(CAS DataBase Reference)
• NIST Chemistry Reference: TERT-BUTYL-4-CHLORO-3-OXOBUTANOATE(74530-56-6)
• EPA Substance Registry System: TERT-BUTYL-4-CHLORO-3-OXOBUTANOATE(74530-56-6)

Safety Data

• RIDADR: 1760
• HazardClass: 8
• PackingGroup: III
• Hazardous Substances Data: 74530-56-6(Hazardous Substances Data)

Usage

Uses

tert-Butyl-4-chloro-3-oxobutanoate acts as a reagent in the synthetic preparation of cephalosporin antibiotics and penicillin derivatives. Also functions as a reagent for the synthesis of Ethyl 4-Chloroacetoacetate.

InChI:InChI=1/C8H13ClO3/c1-8(2,3)12-7(11)4-6(10)5-9/h4-5H2,1-3H3

Upstream product

• 674-82-8 4-methyleneoxetan-2-one 
• 75-65-0 tert-butyl alcohol 

Downstream Products

• 95967-46-7 tert-Butyl 4-benzyloxy-3-oxobutanoate 
• 124752-23-4 tert-butyl 2-[(4R,6S)-6-formyl-2,2-dimethyl-1,3-dioxan-4-yl]acetate 
• 154026-95-6 (4R-cis)-6-[(acetyloxy)methyl]-2,2-dimethyl-1,3-dioxane-4-acetic acid tert-butyl ester 
• 95967-29-6 tert.-butyl 4-<3(R)-benzoylamino-2-azetidinon-4(R)-yloxy>-2-diazo-3-oxo-butanoate 
• 95967-31-0 tert.-butyl (6R,7R)-7-benzoylamino-3-methoxy-8-oxo-5-oxa-1-azabicyclo<4.2.0>oct-2-ene-2-carboxylate 
• 95967-30-9 tert.-butyl (6R,7R)-7-benzoylamino-3-hydroxy-8-oxo-5-oxa-1-azabicyclo<4.2.0>oct-2-ene-2-carboxylate 
• 95991-81-4 tert.-butyl (6R,7R)-7-benzoylamino-3-chloro-8-oxo-5-oxa-1-azabicyclo<4.2.0>oct-2-ene-2-carboxylate 
• 95967-28-5 tert.-butyl 4-<3(R)-benzoylamino-2-azetidinon-4(R)-yloxy>-acetoacetate 
• 108100-50-1 (+/-)-tert-butyl 3,4-epoxybutanoate 
• 125971-95-1 tert-butyl (4R,6R)-6-{2-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]ethyl}-2,2-dimethyl-1,3-dioxane-4-acetate 
• 125971-86-0 tert-butyl [(4R,6R)-6-aminoethyl-2,2-dimethyl-1,3-dioxan-4-yl]acetate 
• 125971-93-9 (3R,5R)-tert-butyl-6-cyano-3,5-dihydroxyhexanoate 
• 125971-94-0 2-((4R, 6R)-6-cyanomethyl-2,2-dimethyl-1,3-dioxan-4-yl)acetic acid tert-butyl ester 

Relevant articles and documents

Lipase-catalyzed resolution of esters of 4-chloro-3-hydroxybutanoic acid: Effects of the alkoxy group and solvent on the enantiomeric ratio

Various lipases have been investigated for their potential use as catalysts for the resolution of esters of 4-chloro-3-hydroxybutanoic acid via transesterification in organic solvents. Rhizomucor miehei lipase was found to be the most efficient lipase, with the enantiomeric ratio (E) being dependent upon of the nature of the alkoxy group of the ester and the resolution medium. Higher E-values were obtained when transesterification was performed in benzene or carbon tetrachloride than was the case in hexane. In mixtures of benzene and hexane the trend in E-values followed a linear relationship.