69195-97-7

Basic information

• Product Name: 2-NITRO-1-[5-NITRO-1-(PHENYLMETHYL)-1H-IMIDAZOL-4-YL] ETHANONE
• Synonyms: 2-NITRO-1-[5-NITRO-1-(PHENYLMETHYL)-1H-IMIDAZOL-4-YL] ETHANONE;Ethanone, 2-nitro-1-[5-nitro-1-(phenylMethyl)-1H-iMidazol-4-yl]-
• CAS NO: 69195-97-7
• Molecular Formula: C₁₂H₁₀N₄O₅
• Molecular Weight: 290.23
• Mol File: 69195-97-7.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 567.2°C at 760 mmHg
• Flash Point: 296.9°C
• Appearance: /
• Density: 1.5g/cm³
• Vapor Pressure: 6.95E-13mmHg at 25°C
• Refractive Index: 1.671
• CAS DataBase Reference: 2-NITRO-1-[5-NITRO-1-(PHENYLMETHYL)-1H-IMIDAZOL-4-YL] ETHANONE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-NITRO-1-[5-NITRO-1-(PHENYLMETHYL)-1H-IMIDAZOL-4-YL] ETHANONE(69195-97-7)
• EPA Substance Registry System: 2-NITRO-1-[5-NITRO-1-(PHENYLMETHYL)-1H-IMIDAZOL-4-YL] ETHANONE(69195-97-7)

Safety Data

• Hazardous Substances Data: 69195-97-7(Hazardous Substances Data)

Usage

General Description

The chemical 2-NITRO-1-[5-NITRO-1-(PHENYLMETHYL)-1H-IMIDAZOL-4-YL] ETHANONE is a nitro-substituted imidazole compound. It contains one nitro group at the 2-position and another nitro group at the 5-position of the imidazole ring. Additionally, it has a phenylmethyl group attached to the 1-position of the imidazole ring. The presence of nitro groups in the molecule indicates its potential as a nitric oxide donor or as a precursor for synthesizing other nitrogen-containing compounds. It may also exhibit biological activity due to its imidazole ring structure, which is commonly found in pharmaceuticals and biologically active molecules. The compound's unique structure makes it a potentially interesting candidate for further exploration in medicinal chemistry and pharmaceutical research.

InChI:InChI=1/C12H10N4O5/c17-10(7-15(18)19)11-12(16(20)21)14(8-13-11)6-9-4-2-1-3-5-9/h1-5,8H,6-7H2

Upstream product

• 100-44-7 benzyl chloride 
• 69195-95-5 1-benzyl-4-nitro-5-styryl-1H-imidazole 
• 857027-07-7 imidazolide 
• 530-62-1 1,1'-carbonyldiimidazole 
• 69195-96-6 5-nitro-1-(phenylmethyl)-1H-imidazole-4-carboxylic acid 
• 434326-06-4 1-benzyl-4-dichloromethyl-5-nitroimidazole 
• 159790-78-0 1-benzyl-5-nitroimidazole 
• 87471-10-1 5-nitro-1-(phenylmethyl)-1H-imidazole-4-carboxaldehyde 
• 75-52-5 nitromethane 

Downstream Products

• 71222-44-1 6,7-dihydroimidazo<4,5-d><1,3>diazepin-8(3H)-one hydrochloride 
• 69195-91-1 2-amino-1-[5-amino-1-(phenylmethyl)-1H-imidazol-4-yl]ethanone dihydrochloride 
• 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.