39061-59-1

Basic information

• Product Name: tert-Butyl 2-chloro-2-oxoacetate
• Synonyms: tert-Butyl 2-chloro-2-oxoacetate;tert-Butyl chloro(oxo)acetate;tert-Butyl chloroglyoxylate, Chloro(oxo)acetic acid tert-butyl ester
• CAS NO: 39061-59-1
• Molecular Formula: C₆H₉ClO₃
• Molecular Weight: 164.58686
• Mol File: 39061-59-1.mol
• Article Data: 17

Chemical Properties

• Boiling Point: 60-63 °C(Press: 23 Torr)
• Appearance: /
• Density: 1.178±0.06 g/cm3(Predicted)
• CAS DataBase Reference: tert-Butyl 2-chloro-2-oxoacetate(CAS DataBase Reference)
• NIST Chemistry Reference: tert-Butyl 2-chloro-2-oxoacetate(39061-59-1)
• EPA Substance Registry System: tert-Butyl 2-chloro-2-oxoacetate(39061-59-1)

Safety Data

• Hazardous Substances Data: 39061-59-1(Hazardous Substances Data)

Usage

Uses

tert-Butyl 2-chloro-2-oxoacetate is a reagent used in the preparation of (S)?-?3-?(Carboxyformamido)?-?2-?(3-?(carboxymethyl)?ureido)?propanoic Acid for prostate cancer imaging.

Upstream product

• 50624-94-7 oxalic acid tert-butyl ester ethyl ester 
• 35448-10-3 oxalic acid mono-tert-butyl ester 
• 79-37-8 oxalyl dichloride 
• 75-65-0 tert-butyl alcohol 

Downstream Products

• 126181-27-9 N-Benzhydrylidene-oxalamic acid tert-butyl ester 
• 264131-81-9 N-{1-(1-{2-carbamoyl-1-[3-(5-methyl-indol-1-yl)-propylcarbamoyl]-ethylcarbamoyl}-cyclohexylcarbamoyl)-2-[4-(di-tert-butoxy-phosphorylmethyl)-phenyl]-ethyl}-oxalamic acid tert-butyl ester 
• 264131-67-1 2-[4-(2-(tert-butoxyoxalyl-amino)-2-{1-[2-carbamoyl-1-(3-naphthalen-1-yl-propylcarbamoyl)-ethylcarbamoyl]-cyclohexylcarbamoyl}-ethyl)-phenoxy]-malonic acid di-tert-butyl ester 
• 264131-75-1 2-[4-(2-(tert-butoxyoxalyl-amino)-2-{1-[2-carbamoyl-1-(3-naphthalen-1-yl-propylcarbamoyl)-ethylcarbamoyl]-cyclohexylcarbamoyl}-ethyl)-phenyl]-2-fluoro-malonic acid di-tert-butyl ester 
• 690254-54-7 N-{1-{1-[2-carbamoyl-1-(3-naphthalen-1-yl-propylcarbamoyl)-ethylcarbamoyl]-cyclohexylcarbamoyl}-2-[4-(diethoxy-phosphoryl)-phenyl]-1-methyl-ethyl}-oxalamic acid tert-butyl ester 
• 118553-22-3 2-(Benzhydrylidene-amino)-acrylic acid tert-butyl ester 
• 128625-59-2 2-(Benzhydrylidene-amino)-3-methyl-but-2-enoic acid tert-butyl ester 
• 128625-58-1 (Z)-2-(Benzhydrylidene-amino)-but-2-enedioic acid 1-tert-butyl ester 4-ethyl ester 
• 128625-64-9 (Z)-2-(Benzhydrylidene-amino)-3-chloro-acrylic acid tert-butyl ester 
• 128625-65-0 (E)-2-(Benzhydrylidene-amino)-3-chloro-acrylic acid tert-butyl ester 
• 128625-66-1 (Z)-2-(Benzhydrylidene-amino)-3-bromo-acrylic acid tert-butyl ester 
• 128625-67-2 (E)-2-(Benzhydrylidene-amino)-3-bromo-acrylic acid tert-butyl ester 
• 128625-54-7 (Z)-2-(Benzhydrylidene-amino)-pent-2-enoic acid tert-butyl ester 
• 128625-55-8 (E)-2-(Benzhydrylidene-amino)-pent-2-enoic acid tert-butyl ester 

Relevant articles and documents

CARBON MONOXIDE PRODRUGS FOR THE TREATMENT OF MEDICAL DISORDERS

The present invention provides new compounds and compositions thereof that release carbon monoxide for the treatment of medical disorders that are responsive to carbon monoxide, for example, inflammatory, pain, and dermatological disorders.

Cationic Chiral Pd-Catalyzed “Acetylenic” Diels–Alder Reaction: Computational Analysis of Reversal in Enantioselectivity

The highly enantioselective Diels–Alder reaction of acetylenic dienophiles is shown to be effectively catalyzed by cationic chiral palladium complexes. Not only the degree but also the sense of enantioselectivity critically depends on the steric demand of ligands. Computational analyses indicate that the steric demand does not affect the endo/exo-selectivity but the enantioface selectivity of dienes.

Syntheses and biological evaluation of 2-amino-3-acyl- tetrahydrobenzothiophene derivatives; Antibacterial agents with antivirulence activity

Developing new compounds targeting virulence factors (e.g., inhibition of pilus assembly by pilicides) is a promising approach to combating bacterial infection. A high-throughput screening campaign of a library of 17500 small molecules identified 2-amino-3-acyl-tetrahydrobenzothiophene derivatives (hits 2 and 3) as novel inhibitors of pili-dependent biofilm formation in a uropathogenic Escherichia coli strain UTI89. Based on compounds 2 and 3 as the starting point, we designed and synthesized a series of structurally related analogs and investigated their activity against biofilm formation of E. coli UTI89. Systematic structural modification of the initial hits provided valuable information on their SARs for further optimization. In addition, small structural changes to the parent molecules resulted in low micromolar inhibitors (20-23) of E. coli biofilm development without an effect on bacterial growth. The hit compound 3 and its analog 20 were confirmed to prevent pili formation in a hemagglutination (HA) titer assay and electron microscopy (EM) measurements. These findings suggest that 2-amino-3-acyl-tetrahydrobenzothiophenes may serve as a new class of compounds for further elaboration as antibacterial agents with antivirulence activity.