1077-93-6

Basic information

• Product Name: Ternidazole
• Synonyms: TERNIDAZOLE;2-Methyl-5-nitroimidazole-1-propanol;3-(2-Methyl-5-nitroimidazol-1-yl)propan-1-ol;2-Methyl-5-nitro-1H-imidazole-1-(1-propanol);3-(2-Methyl-5-nitro-1H-imidazole-1-yl)-1-propanol;1H-IMidazole-1-propanol, 2-Methyl-5-nitro-;3-(2-Methyl-5-nitro-1H-iMidazol-1-yl)propan-1-ol
• CAS NO: 1077-93-6
• Molecular Formula: C₇H₁₁N₃O₃
• Molecular Weight: 185.18
• EINECS: 214-077-5
• Mol File: 1077-93-6.mol
• Article Data: 1

Chemical Properties

• Melting Point: 130 °C
• Boiling Point: 419.919 °C at 760 mmHg
• Flash Point: 207.76 °C
• Appearance: /
• Density: 1.382 g/cm³
• Vapor Pressure: 8.4E-08mmHg at 25°C
• Refractive Index: 1.595
• PKA: 14.90±0.10(Predicted)
• CAS DataBase Reference: Ternidazole(CAS DataBase Reference)
• NIST Chemistry Reference: Ternidazole(1077-93-6)
• EPA Substance Registry System: Ternidazole(1077-93-6)

Safety Data

• Hazardous Substances Data: 1077-93-6(Hazardous Substances Data)

Usage

Uses

2-Methyl-5-nitroimidazole-1-propanol is a nitroimidazole metabolite in urine.

InChI:InChI=1/C7H11N3O3/c1-6-8-5-7(10(12)13)9(6)3-2-4-11/h5,11H,2-4H2,1H3

Synthetic route

2-methyl-5-nitro-1H-imidazole (696-23-1) + 1-chloro-3-hydroxypropane (627-30-5) → 1-(3-hydroxypropyl)-2-methyl-5-nitro-1H-imidazole (1077-93-6)

Conditions	Yield
In water

1,1-Diphenylmethanol (91-01-0) + 1-(3-hydroxypropyl)-2-methyl-5-nitro-1H-imidazole (1077-93-6) → 1-(3-benzhydryloxy-propyl)-2-methyl-5-nitro-1H-imidazole

Conditions	Yield
With toluene-4-sulfonic acid In benzene for 4h; Heating;	78%

Upstream product

• 696-23-1 2-methyl-5-nitro-1H-imidazole 
• 627-30-5 1-chloro-3-hydroxypropane 

Relevant articles and documents

Nitroimidazole ester analogues and therapeutic applications

Novel nitroimidazole compounds are provided that have a substituent linked via an ester linkage. The ester linkage may be obtained by derivation of the hydroxyl group of metronidazole. These nitroimidazole ester analogs have anti-microbial activity, with a number of novel compounds having an anti-microbial activity that is significantly improved with respect to metronidazole. Two particularly preferred embodiments are shown by Formulas 4 and 5 below: