882-36-0

Basic information

• Product Name: N-Benzylacetoacetamide
• Synonyms: ACETOACETBENZYLAMIDE;BENZYLACETOACETAMIDE;BENZYL ACETOACETIC AMIDE;N-BENZYLACETOACETAMIDE;N-ACETOACETYLBENZYLAMINE;3-oxo-n-(phenylmethyl)-butanamid;AAPCT;N-Benzyl-3-Oxo-Butanamide
• CAS NO: 882-36-0
• Molecular Formula: C₁₁H₁₃NO₂
• Molecular Weight: 191.23
• EINECS: 212-928-5
• Product Categories: Aromatics Compounds;Aromatics
• Mol File: 882-36-0.mol
• Article Data: 42

Chemical Properties

• Melting Point: 103 °C
• Boiling Point: 399.4 °C at 760 mmHg
• Flash Point: 174.4 °C
• Appearance: Light Yellow Powder
• Density: 1.093 g/cm³
• Vapor Pressure: 1.38E-06mmHg at 25°C
• Refractive Index: 1.522
• Solubility: Acetone, Dichloromethane, Ethyl Acetate
• PKA: 7.90±0.50(Predicted)
• CAS DataBase Reference: N-Benzylacetoacetamide(CAS DataBase Reference)
• NIST Chemistry Reference: N-Benzylacetoacetamide(882-36-0)
• EPA Substance Registry System: N-Benzylacetoacetamide(882-36-0)

Safety Data

• Hazardous Substances Data: 882-36-0(Hazardous Substances Data)

Usage

Chemical Properties

Light Yellow Powder

InChI:InChI=1/C11H13NO2/c1-9(13)7-11(14)12-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,14)

Upstream product

• 674-82-8 4-methyleneoxetan-2-one 
• 100-46-9 benzylamine 
• 7647-01-0 hydrogenchloride 
• 77871-55-7 N-benzyl-3-(benzylamino)but-2-enamide 
• 1118-84-9 allyl acetoacetate 
• 105-45-3 acetoacetic acid methyl ester 
• 5394-63-8 2,2,6-trimethyl-4H-1,3-dioxin-4-one 
• 65399-20-4 S-(4-chlorophenyl) 3-oxobutanethioate 
• 141-97-9 ethyl acetoacetate 
• 15159-48-5 2,4-oxetanedione 
• 1694-31-1 tert-butyl acetoacetate 
• 85920-63-4 5-(1-hydroxyethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione 
• 121767-19-9 1-Phenyl-2-aza-3-trimethylsilyloxy-1,3-butadiene 
• 75-36-5 acetyl chloride 

Downstream Products

• 77871-55-7 N-benzyl-3-(benzylamino)but-2-enamide 
• 94959-91-8 (2-Hydroxy-phenylazo)-acetoacetbenzylamid 
• 94540-39-3 (2-Hydroxy-5-nitro-phenylazo)-acetoacetbenzylamid 
• 106538-05-0 1,3,6-Trimethyl-1H-pyrazolo[3,4-b]pyrazine-5-carboxylic acid benzylamide 
• 83821-63-0 1,4-di-N-oxide-3-methylquinoxaline-2-carboxylic acid 2-benzylamide 
• 83999-27-3 C₁₇H₁₅N₄O₈^(1-)*C₆H₁₅N*H⁽¹⁺⁾ 
• 91305-86-1 3-acetyl-4-amino-1-benzyl-1H-pyrrole-2,5-dione 
• 1025832-90-9 (S)-2-((Z)-2-Benzylcarbamoyl-1-methyl-vinylamino)-3-methyl-butyric acid methyl ester 
• 90033-07-1 N-benzyl-2-methyl-3-oxobutanamide 
• 69799-11-7 9-[2-(dimethylamino)ethyl]-2,3-dihydro-3-hydroxy-3-methyl-1-phenyl-N-(phenylmethyl)-1H-pyrrolo[1,2-a]indole-2-carboxamide 
• 1233220-74-0 N-benzyl-4-(4-chlorophenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxopyrimidine-5-carboxamide 
• 1233220-76-2 N-benzyl-1,2,3,4-tetrahydro-6-methyl-4-(3-nitrophenyl)-2-oxopyrimidine-5-carboxamide 
• 895024-47-2 N-benzyl-4-(4-bromophenyl)-1,2,3,4-tetrahydro-6-methyl-2-thioxopyrimidine-5-carboxamide 
• 129306-06-5 4-oxo-5-benzyl-7-hydroxyimino-5-azaspiro[2,4]heptane 

Relevant articles and documents

Nickel-promoted oxidative domino Csp3-H/N-H bond double-isocyanide insertion reaction to construct pyrrolin-2-ones

The first nickel-catalyzed oxidative domino Csp3-H/N-H double isocyanide insertion reaction of acetamides with isocyanides has been developed for the synthesis of pyrrolin-2-one derivatives. A wide range of acetamides bearing various functional groups are compatible with this reaction system by utilizing Ni(acac)2as a catalyst. In this transformation, isocyanide could serve as a C1 connector and insert into the inactive Csp3-H bond, representing an effective way to construct heterocycles.

2- Amino -3,4-dihydropyran -3- formamide analogue as well as preparation method and application thereof

The invention relates to a preparation method 2 - of a compound containing, amino - 333384-dihydropyran - 3 3, which comprises the following step :1) of linking diketene with R. 2 NH2 The reaction is stirred in a solvent to complete. ;2) Is added R. 3 NH2 , R1 CHO And a of Compound, and adding elemental iodine to reaction solution to complete curing, and drying the filter cake to obtain compound 2 - containing. amino - 3333,4-dihydropyran - 3 3-carboxamide compound, according to the present invention as well as its use. without isolation of intermediate, in a simple.

5-Aminothiophene-2,4-dicarboxamide analogues as hepatitis B virus capsid assembly effectors

Chronic hepatitis B virus (HBV) infection represents a major health threat. Current FDA-approved drugs do not cure HBV. Targeting HBV core protein (Cp) provides an attractive approach toward HBV inhibition and possibly infection cure. We have previously identified and characterized a 5-amino-3-methylthiophene-2,4-dicarboxamide (ATDC) compound as a structurally novel hit for capsid assembly effectors (CAEs). We report herein hit validation through studies on absorption, distribution, metabolism and excretion (ADME) properties and pharmacokinetics (PK), and hit optimization via analogue synthesis aiming to probe the structure-activity relationship (SAR) and structure-property relationship (SPR). In the end, these medicinal chemistry efforts led to the identification of multiple analogues strongly binding to Cp, potently inhibiting HBV replication in nanomolar range without cytotoxicity, and exhibiting good oral bioavailability (F). Two of our analogues, 19o (EC50 = 0.11 μM, CC50 > 100 μM, F = 25%) and 19k (EC50 = 0.31 μM, CC50 > 100 μM, F = 46%), displayed overall lead profiles superior to reported CAEs 7–10 used in our studies.