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N-[4-(2-chloropropanoyl)phenyl]acetamide is a chemical compound with the molecular formula C11H12ClNO2. It is an amide derivative characterized by a phenyl ring with a 2-chloropropanoyl substituent and an acetamide group. N-[4-(2-CHLOROPROPANOYL)PHENYL]ACETAMIDE is recognized for its potential medicinal properties and is commonly utilized in research and pharmaceutical settings. Its versatility and chemical structure make it a promising candidate for the development of new drugs, with a focus on its potential analgesic, anti-inflammatory, or antipyretic activity.

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  • 81112-08-5 Structure
  • Basic information

    1. Product Name: N-[4-(2-CHLOROPROPANOYL)PHENYL]ACETAMIDE
    2. Synonyms: N-[4-(2-CHLOROPROPANOYL)PHENYL]ACETAMIDE;Acetamide, N-[4-(2-chloro-1-oxopropyl)phenyl]-
    3. CAS NO:81112-08-5
    4. Molecular Formula: C11H12ClNO2
    5. Molecular Weight: 225.67
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 81112-08-5.mol
  • Chemical Properties

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

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 81112-08-5(Hazardous Substances Data)

81112-08-5 Usage

Uses

Used in Pharmaceutical Research:
N-[4-(2-chloropropanoyl)phenyl]acetamide is used as a research compound for its potential medicinal properties. It is particularly studied for its analgesic, anti-inflammatory, or antipyretic activity, which could contribute to the development of new therapeutic agents.
Used in Chemical Synthesis:
In the chemical industry, N-[4-(2-chloropropanoyl)phenyl]acetamide may serve as an intermediate in the synthesis of more complex molecules. Its unique structure allows it to be a valuable component in the creation of a variety of chemical products.
Used in Drug Development:
N-[4-(2-chloropropanoyl)phenyl]acetamide is used as a precursor in the development of new drugs. Its potential medicinal properties make it a candidate for further research and formulation into pharmaceutical products aimed at treating various conditions.

Check Digit Verification of cas no

The CAS Registry Mumber 81112-08-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,1,1,1 and 2 respectively; the second part has 2 digits, 0 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 81112-08:
(7*8)+(6*1)+(5*1)+(4*1)+(3*2)+(2*0)+(1*8)=85
85 % 10 = 5
So 81112-08-5 is a valid CAS Registry Number.
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)

81112-08-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name N-[4-(2-chloropropanoyl)phenyl]acetamide

1.2 Other means of identification

Product number -
Other names -

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:81112-08-5 SDS

81112-08-5Relevant articles and documents

Synthesis method of pimobendan

-

Paragraph 0015; 0070; 0071, (2020/08/29)

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.

DIHYDROPYRIDAZINONES SUBSTITUTED WITH PHENYLUREAS

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Page/Page column 200, (2018/05/27)

Compounds of formula (I) which are nicotinamide phosphoribosyltransferase (NAMPT) inhibitors and their use for the treatment of hyperproloferative diseases and/or disorders responsive to induction of cell death.

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

Wu, Weilong,You, Cai,Yin, Congcong,Liu, Yuanhua,Dong, Xiu-Qin,Zhang, Xumu

supporting information, p. 2548 - 2551 (2017/05/24)

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.

Arylalkane, arylalkene and aryl azaalkane, medicaments containing said compounds and method for the production thereof

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Page/Page column 85-86, (2010/11/27)

The present invention relates to compounds of general formula [in-line-formulae]R—Z1—Z2—Z3—R1, ??(I)[/in-line-formulae] wherein R, R1 and Z1 to Z3 are defined as in claim 1, the tautomers, the diastereomers, the enantiomers, the mixtures thereof and the salts thereof, particularly the physiologically acceptable salts thereof with inorganic or organic acids or bases, which have valuable pharmacological properties, particularly CGRP-antagonistic properties, pharmaceutical compositions containing these compounds, their use and processes for preparing them.

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

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, (2008/06/13)

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 -

1-(acetylaminophenyl)-2-aminopropanone derivatives and pharmaceutical compositions thereof

-

, (2008/06/13)

The present invention relates, by way of new industrial products, to 1-(acetylaminophenyl)-2-amino-propanone derivatives selected from the group consisting of (a) the compounds of the formula in which NR1 R2 represents a piperidino g

1-(acetylaminophenyl)-2-aminopropanone derivatives and antidepressant compositions thereof

-

, (2008/06/13)

The present invention relates, by way of new industrial products, to 1-(acetylaminophenyl)-2-amino-propanone derivatives selected from the group consisting of (a) the compounds of the formula in which R1 represents a C1 -C4/sub

6-(substituted phenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-ones of medicinal interest. The synthesis of SK&F 94836 and SK&F 95654

Burpitt,Crawford,Davies,Mistry,Mitchell,Pancholi,Coates

, p. 1689 - 1695 (2007/10/02)

Two synthetic routes to the dihydropyridazinone-cyanoguanidine 4 (SK&F 94836) are described, both proceeding via the anilino compound 6. An efficient synthesis of the dihydropyridazinone-pyridone 5 (SK&F 95654) is reported. This synthesis proceeds via the fluoro-keto-acid 24, with subsequent displacement of the fluoro substituent by 4-pyridone. The surprising effectiveness of water as a solvent in this reaction has been highlighted.

Chemical process

-

, (2008/06/13)

This invention relates to a Friedel-Crafts acylation process using trichlorobenzene as solvent.

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