81112-08-5

Basic information

• Product Name: N-[4-(2-CHLOROPROPANOYL)PHENYL]ACETAMIDE
• Synonyms: N-[4-(2-CHLOROPROPANOYL)PHENYL]ACETAMIDE;Acetamide, N-[4-(2-chloro-1-oxopropyl)phenyl]-
• CAS NO: 81112-08-5
• Molecular Formula: C₁₁H₁₂ClNO₂
• Molecular Weight: 225.67
• Mol File: 81112-08-5.mol
• Article Data: 11

Chemical Properties

• Melting Point: 119-120 °C(Solv: ethanol (64-17-5); water (7732-18-5))
• Boiling Point: 429.9°Cat760mmHg
• Flash Point: 213.8°C
• Appearance: /
• Density: 1.237g/cm³
• Vapor Pressure: 1.35E-07mmHg at 25°C
• Refractive Index: 1.572
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: 14.47±0.70(Predicted)
• CAS DataBase Reference: N-[4-(2-CHLOROPROPANOYL)PHENYL]ACETAMIDE(CAS DataBase Reference)
• NIST Chemistry Reference: N-[4-(2-CHLOROPROPANOYL)PHENYL]ACETAMIDE(81112-08-5)
• EPA Substance Registry System: N-[4-(2-CHLOROPROPANOYL)PHENYL]ACETAMIDE(81112-08-5)

Safety Data

• Hazardous Substances Data: 81112-08-5(Hazardous Substances Data)

Usage

General Description

N-[4-(2-chloropropanoyl)phenyl]acetamide is a chemical compound with the molecular formula C11H12ClNO2. It is an amide derivative, featuring a phenyl ring with a 2-chloropropanoyl substituent and an acetamide group. N-[4-(2-CHLOROPROPANOYL)PHENYL]ACETAMIDE is commonly used in research and pharmaceutical settings for its potential medicinal properties, particularly in the development of new drugs. Its precise application can vary, but it is often studied for its potential analgesic, anti-inflammatory, or antipyretic activity. Additionally, it may have applications as an intermediate in chemical synthesis processes. Overall, N-[4-(2-chloropropanoyl)phenyl]acetamide is a versatile compound with diverse potential uses in various scientific and industrial fields.

InChI:InChI=1/C11H12ClNO2/c1-7(12)11(15)9-3-5-10(6-4-9)13-8(2)14/h3-7H,1-2H3,(H,13,14)

Upstream product

• 103-84-4 Acetanilid 
• 70110-25-7 (R)-(-)-2-chloropropionyl chloride 
• 7623-09-8 2-chloropropionyl chloride 

Downstream Products

• 118428-37-8 pimobendan 
• 97111-07-4 1-(4-acetylaminophenyl)-2-ethylaminopropanone hydrochloride 
• 97111-24-5 1-(4-acetylamino-3-chlorophenyl)-2-chloropropanone 
• 36725-28-7 6-(4-aminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone 
• 120757-13-3 4-(4-aminophenyl)-3-methyl-4-oxobutanoic acid hydrochloride 
• 115344-47-3 2 cyano 1 methyl 3 [4 (4 methyl 6 oxo 1,4,5,6 tetrahydro 3 pyridazinyl)phenyl]guanidine 
• 99591-85-2 6-<4-(N'-cyano-S-methylisothioureido)phenyl>-5-methyl-4,5-dihydropyridazin-3(2H)-one 
• 112127-66-9 5-methyl-6-[4-(4-oxo-1,4-dihydropyridin-1-yl)phenyl]-4,5-dihydro-3(2H)-pyridazinone 
• 81937-39-5 2-ethoxycarbonyl-3-(4-acetamidobenzoyl)butyric acid ethyl ester 
• 81111-95-7 Methanesulfonic acid 2-(4-acetylamino-phenyl)-2,2-dimethoxy-1-methyl-ethyl ester 
• 1582285-77-5 C₁₃H₁₁F₃N₂O₂ 
• 1582285-76-4 4-(5-methyl-2-(trifluoromethyl)oxazol-4-yl)aniline 
• 1582285-79-7 C₁₆H₁₇F₃N₂O₃ 
• 1582285-78-6 C₁₈H₁₉F₃N₂O₄ 

Relevant articles and documents

Synthesis method of pimobendan

The invention provides a synthesis method of pimobendan, and belongs to the technical field of pharmaceutical chemicals. The synthesis method comprises the following steps: (1) in an organic solvent,taking acetanilide and 2-chloropropionyl chloride as raw materials, generating a compound I under the action of a Lewis acid catalyst; (2) in acid anhydride, the compound I and nitric acid are subjected to a nitration reaction to produce a compound II; (3) carrying out nucleophilic substitution reaction on the compound II and diethyl malonate in a reaction reagent under the action of sodium methoxide, carrying out hydrolysis reaction in the reaction reagent under the action of sodium hydroxide, and regulating the pH value of the reaction system to 3-4 by using diluted hydrochloric acid to generate a compound III; (4) reacting the compound III with a decarboxylation reagent to generate a compound IV; (5) reacting the compound IV with hydrazine hydrate in a reaction solvent in the presence of a noble metal catalyst to generate a compound V; and (6) reacting the compound V with p-methoxybenzaldehyde in a reaction solvent under the action of a catalyst to generate pimobendan VI. The pimobendan prepared by the method is simple in preparation method and low in reagent toxicity and has excellent clinical curative effect and clinical safety.

Enantioselective and Diastereoselective Construction of Chiral Amino Alcohols by Iridium-f-Amphox-Catalyzed Asymmetric Hydrogenation via Dynamic Kinetic Resolution

The iridium-f-amphox-catalyzed asymmetric hydrogenation of racemic α-amino β-unfunctionalized ketones proceeds via a DKR (dynamic kinetic resolution) process for the construction of various chiral N,N-disubstituted α-amino β-unfunctionalized alcohols in quantitative yields with excellent enantioselectivities and diastereoselectivities (all products >99% ee and >99:1 dr, TON up to 100 000). Importantly, this catalytic asymmetric hydrogenation with a DKR process provided a highly efficient and powerful synthetic strategy for the preparation of key chiral intermediates of the preclinical antitumor agent (S,S)-R116010.

1-(4-aminophenyl)-2-piperidinopropanone derivatives, preparation process and use in therapeutics

The present invention relates to 1-(4-aminophenyl)-2-piperidinopropanone derivatives which are selected from (a) the compounds corresponding to the general formula STR1 where R is H or CH3 CO, A is H or Cl, B is H or Cl and Z is C1 -