13551-92-3

Basic information

• Product Name: 1,2-PROPANEDIOL, 3-(2-NITRO-1H-IMIDAZOL-1-YL)-
• Synonyms: 1,2-PROPANEDIOL, 3-(2-NITRO-1H-IMIDAZOL-1-YL)-;1,2-PROPANEDIOL, 3-(2-NITROIMIDAZOL-1-YL);1-(2,3-DIHYDROXYPROPYL)-2-NITROIMIDAZOLE;1-(2-nitro-1-imidazolyl)-3-hydroxy-2-propanol;3-(2-nitro-1h-imidazol-1-yl)-1,2-propanediol;3-(2-nitro-1h-imidazol-1-yl)-2-propanediol;3-(2-nitroimidazol-1-yl)-1,2-propanediol;3-(2-nitroimidazol-1-yl)-2-propanediol
• CAS NO: 13551-92-3
• Molecular Formula: C₆H₉N₃O₄
• Molecular Weight: 187.15
• EINECS: 236-932-1
• Mol File: 13551-92-3.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 521.5°Cat760mmHg
• Flash Point: 269.2°C
• Appearance: /
• Density: 1.61g/cm³
• Vapor Pressure: 1.05E-11mmHg at 25°C
• Refractive Index: 1.643
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 1,2-PROPANEDIOL, 3-(2-NITRO-1H-IMIDAZOL-1-YL)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1,2-PROPANEDIOL, 3-(2-NITRO-1H-IMIDAZOL-1-YL)-(13551-92-3)
• EPA Substance Registry System: 1,2-PROPANEDIOL, 3-(2-NITRO-1H-IMIDAZOL-1-YL)-(13551-92-3)

Safety Data

• Hazardous Substances Data: 13551-92-3(Hazardous Substances Data)

Usage

Chemical Properties

Yellow solid

InChI:InChI=1/C6H9N3O4/c10-4-5(11)3-8-2-1-7-6(8)9(12)13/h1-2,5,10-11H,3-4H2

Upstream product

• 527-73-1 2-nitro-1H-imidazole 
• 556-52-5 oxiranyl-methanol 
• 1262892-72-7 1-((2,2-dimethyl-1,3-dioxolan-4-yl)methyl)-2-nitro-1H-imidazole 

Downstream Products

• 378230-70-7 toluene-4-sulfonic acid 2-hydroxy-3-(2-nitroimidazol-1-yl)propyl ester 

Relevant articles and documents

A new and improved synthesis of the precursor of the hypoxia marker [ 18F]-FMISO

A new synthetic approach to the precursor of the hypoxia marker [ 18F]-FMISO has been developed. Three different tosylation methods were studied for the preparation of the key intermediate. The overall yield is markedly higher than the yields reported for previous syntheses. The precursor was used to prepare [18F]-FMISO and the results were comparable to those obtained when a commercial precursor was used.

Practical synthesis of 1-(2-Nitro-1H-imidazol-1-yl)-3-(tosyloxy) propan-2-yl acetate for the radiosynthesis of [18F]-FMISO

Hypoxia is related with many tumors due to a decreased oxygen condition. Novel synthesis for 1-(2-nitro-1H-imidazol-1-yl)-3-(tosyloxy)propan-2-yl acetate for the radiosynthesis of the [18F]-Flouromisonidazole ([18F]-FMISO), a hypoxia imaging marker used in positron emission tomography, from the readily available starting material is described. In this approach, one-pot two-step syntheses were used for the preparation of the [18F]-FMISO precursors that contain acetyl group. The mild reaction conditions and easy treatments are attractive features in this synthesis. This new synthetic route provides alternative choices for the preparation of hypoxia imaging marker.