132383-36-9

Basic information

• Product Name: 6-(3-chloropropanoyl)benzo[d]oxazol-2(3H)-one
• Synonyms: 6-(3-chloropropanoyl)benzo[d]oxazol-2(3H)-one;6-(3-chloro-1-oxopropyl)-2(3H)-Benzoxazolone
• CAS NO: 132383-36-9
• Molecular Formula: C₁₀H₈ClNO₃
• Molecular Weight: 225.62842
• Mol File: 132383-36-9.mol
• Article Data: 7

Chemical Properties

• Melting Point: 166 °C(Solv: ethanol (64-17-5))
• Appearance: /
• Density: 1.396±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• PKA: 8.70±0.70(Predicted)
• CAS DataBase Reference: 6-(3-chloropropanoyl)benzo[d]oxazol-2(3H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: 6-(3-chloropropanoyl)benzo[d]oxazol-2(3H)-one(132383-36-9)
• EPA Substance Registry System: 6-(3-chloropropanoyl)benzo[d]oxazol-2(3H)-one(132383-36-9)

Safety Data

• Hazardous Substances Data: 132383-36-9(Hazardous Substances Data)

Usage

General Description

6-(3-chloropropanoyl)benzo[d]oxazol-2(3H)-one is a chemical compound characterized by the presence of a 3-chloropropanoyl group attached to a benzo[d]oxazole ring. It is a white, crystalline solid with a molecular formula of C11H8NO3Cl and a molecular weight of 239.63 g/mol. 6-(3-chloropropanoyl)benzo[d]oxazol-2(3H)-one has potential applications in pharmaceuticals and agrochemicals due to its functional group and chemical reactivity. Its synthesis and structural properties make it an interesting target for further research and development in the field of organic chemistry.

Upstream product

• 59-49-4 2-Benzoxazolinone 
• 625-36-5 2-chloropropionyl chloride 

Downstream Products

• 178165-43-0 EMD 95885 
• 1144035-53-9 3,5-dichlorobenzyl 4-(3-oxo-3-(2-oxo-2,3-dihydrobenzo[d]oxazol-6-yl)propyl)piperazine-1-carboxylate 
• 1246639-70-2 3,5-dichlorobenzyl 4-{2-[3-(2-oxo-2,3-dihydrobenzoxazol-6-yl)-4,5-dihydropyrazol-1-yl]ethyl}piperazine-1-carboxylate 
• 1248730-90-6 C₂₂H₂₄N₄O₂ 
• 1144035-08-4 N-(4-chlorobenzyl)-1-[3-oxo-3-(2-oxo-2,3-dihydrobenzoxazol-6-yl)propyl]piperidine-4-carboxamide 
• 1144035-03-9 6-(3-{4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl}propionyl)-3H-benzoxazol-2-one 
• 1144035-02-8 4-chlorobenzyl 4-[3-oxo-3-(2-oxo-2,3-dihydrobenzoxazol-6-yl)propyl]piperazine-1-carboxylate 
• 746666-22-8 1-(4-amino-3-hydroxy-phenyl)-3-[4-(4-fluorobenzyl)piperidin-1-yl]propan-1-one 
• 746666-23-9 (4-[3-[4-(4-fluorobenzyl)piperidino]propionyl]-2-hydroxy-phenyl)-carbamic acid tert-butyl ester 

Relevant articles and documents

Discovery of BI-2545: A Novel Autotaxin Inhibitor That Significantly Reduces LPA Levels in Vivo

In an effort to find new therapeutic interventions addressing the unmet medical need of patients with idiopathic pulmonary fibrosis, we initiated a program to identify new autotaxin (ATX) inhibitors. Starting from a recently published compound (PF-8380), we identified several highly potent ATX inhibitors with improved pharmacokinetic and safety profiles. Further optimization efforts resulted in the identification of a single-digit nanomolar lead compound (BI-2545) that shows substantial lowering of LPA in vivo and is therefore considered a valuable tool for further studies.

Radiosynthesis and pharmacological evaluation of [11C]EMD-95885: A high affinity ligand for NR2B-containing NMDA receptors

EMD-95885, 6-[3-[4-(4-fluorobenzyl)piperidino]propionyl]-3H-benzoxazol-2- one (1) has been described as a selective antagonist for the NMDA receptors containing NR2B subunits, displaying an IC50 of 3.9nM for this subtype. EMD-95885 (1) has been

AlCl3-DMF Reagent in the Friedel-Crafts Reaction. The Behavior of ω-Halogenoacid Chlorides

2(3H)-Benzoxazolones or 2(3H)-benzothiazolones react at 70-75 deg C with ω-halogenoacyl chlorides in the presence the AlCl3-DMF complex to produce the expected ketones in 55-88percent yield.Treatment of a 2(3H)-benzoxazolone or 2(3H)-benzothiazolone by 4-chlorobutyryl chloride produced an alcohol derivative, presumably via an anchimeric participation of the 6-acyl carbonyl moiety.