69195-91-1

Basic information

• Product Name: 2-AMINO-1-[5-AMINO-1-(PHENYLMETHYL)-1H-IMIDAZOL-4-YL] ETHANONE
• Synonyms: 2-AMINO-1-[5-AMINO-1-(PHENYLMETHYL)-1H-IMIDAZOL-4-YL] ETHANONE;2-AMINO-1-(5-AMINO-1H-IMIDAZOL-4-YL)-ETHANONE DIHYDROCHLORIDE;2-AMINO-1-[5-AMINO-1-(PHENYLMETHYL)-1H-IMIDAZOL-4-YL] ETHANONE DIHYDROCHLORIDE;2-AMino-1-[5-aMino-1-(phenylMethyl)-1H-IMidazol-4-yl] ethanone 2HCl
• CAS NO: 69195-91-1
• Molecular Formula: C₁₂H₁₄N₄O*2ClH
• Molecular Weight: 230.27
• Mol File: 69195-91-1.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 497.211 °C at 760 mmHg
• Flash Point: 254.504 °C
• Appearance: /
• Density: 1.315 g/cm³
• Vapor Pressure: 5.05E-10mmHg at 25°C
• CAS DataBase Reference: 2-AMINO-1-[5-AMINO-1-(PHENYLMETHYL)-1H-IMIDAZOL-4-YL] ETHANONE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-AMINO-1-[5-AMINO-1-(PHENYLMETHYL)-1H-IMIDAZOL-4-YL] ETHANONE(69195-91-1)
• EPA Substance Registry System: 2-AMINO-1-[5-AMINO-1-(PHENYLMETHYL)-1H-IMIDAZOL-4-YL] ETHANONE(69195-91-1)

Safety Data

• Hazardous Substances Data: 69195-91-1(Hazardous Substances Data)

Usage

General Description

2-AMINO-1-[5-AMINO-1-(PHENYLMETHYL)-1H-IMIDAZOL-4-YL] ETHANONE is a chemical compound with the molecular formula C11H14N4O. It is a derivative of the imidazole compound and contains a ketone functional group. 2-AMINO-1-[5-AMINO-1-(PHENYLMETHYL)-1H-IMIDAZOL-4-YL] ETHANONE has potential applications in pharmaceutical research and drug development due to its structural features and potential biological activity. Additionally, its aromatic phenyl group may confer specific properties that are relevant for medicinal chemistry. Further research is needed to explore the full range of potential uses and effects of this chemical compound.

InChI:InChI=1/C12H14N4O.2ClH/c13-6-10(17)11-12(14)16(8-15-11)7-9-4-2-1-3-5-9;;/h1-5,8H,6-7,13-14H2;2*1H

Upstream product

• 69195-97-7 2-nitro-1-(1-benzyl-5-nitro-1H-imidazol-4-yl)ethanone 
• 87471-10-1 5-nitro-1-(phenylmethyl)-1H-imidazole-4-carboxaldehyde 
• 100-44-7 benzyl chloride 
• 159790-78-0 1-benzyl-5-nitroimidazole 
• 69195-96-6 5-nitro-1-(phenylmethyl)-1H-imidazole-4-carboxylic acid 
• 434326-06-4 1-benzyl-4-dichloromethyl-5-nitroimidazole 

Downstream Products

• 71222-44-1 6,7-dihydroimidazo<4,5-d><1,3>diazepin-8(3H)-one hydrochloride 
• 71222-43-0 2-amino-1-(5-amino-1-benzyl-1H-imidazol-4-yl)-ethanone 
• 82228-60-2 (8S)-3-(2-deoxy-3,5-di-O-p-toluoyl-β-D-erythro-pentofuranosyl)-3,6,7,8-tetrahydroimidazo<4,5-d><1,3>diazepin-8-ol 
• 82228-59-9 (8R)-3-(2-deoxy-3,5-di-O-p-toluoyl-β-D-erythro-pentofuranosyl)-3,6,7,8-tetrahydroimidazo<4,5-d><1,3>diazepin-8-ol 
• 53910-25-1 3-(2-deoxy-α-D-erythro-pentofuranosyl)-3,6,7,8-tetrahydroimidazo<4,5-d><1,3>diazepin-8-ol 
• 69196-02-7 3-(2-deoxy-3,5-di-O-p-toluoyl-α-D-erythro-pentofuranosyl)-6,7-dihydroimidazo<4,5-d><1,3>diazepin-8(3H)-one 
• 69196-01-6 3-(2-deoxy-3,5-di-O-p-toluoyl-β-D-erythro-pentofuranosyl)-6,7-dihydroimidazo<4,5-d><1,3>diazepin-8(3H)-one 

Relevant articles and documents

Vicarious nucleophilic substitution of 1-benzyl-5-nitroimidazole, application to the synthesis of 6,7-dihydroimidazo[4,5-d][1,3]diazepin-8(3H)-one

Reaction of 1-benzyl-5-nitroimidazole with carbanion generated from chloroform and potassium tert-butoxide afforded 1-benzyl-4-dichloromethyl-5-nitroimidazole in 72% yield. This vicarious nucleophilic substitution reaction was successfully applied to the synthesis of 6,7-dihydroimidazo[4,5-d][1,3]diazepin-8(3H)-one, an important intermediate in the synthesis of natural and biologically active compounds.

2-Amino-1-(5-amino-1H-imidazol-4-yl)ethanone and method of preparation

2-Amino-1-(5-amino-1H-imidazol-4-yl)ethanone, 6,7-dihydroimidazo[4,5-d][1,3]diazepin-8(3H)-one and acid-addition salts thereof are disclosed. 2-Amino-1-(5-amino-1H-imidazol-4-yl)ethanone and its acid-addition salts are prepared by catalytically reducing an acid-addition salt of 2-amino-1-[5-amino-1-(protected)-1H-imidazol-4-yl]ethanone. 6,7-Dihydroimidazo[4,5-d][1,3]-diazepin-8(3H)-one and its acid-addition salts are prepared by reacting an acid-addition salt of 2-amino-1-(5-amino-1H-imidazol-4-yl)ethanone with a compound able to contribute a formyl group. The later product may subsequently be converted into (R)-3-(2-deoxy-β-D-erythro-pentofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol. Furanose derivatives of 6,7-dihydroimidazo[4,5-d][1,3]diazepine are also disclosed and their methods of preparation. Lastly, a method for resolving an isomer mixture of 3-(2-deoxy-β-D-erythro-pentafuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol compounds is related.