alpha-(((2-Bromoethyl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol monohydrobromide

Base Information

• Chemical Name: alpha-(((2-Bromoethyl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol monohydrobromide
• CAS No.: 129448-97-1
• Deprecated CAS: 122178-49-8,123708-77-0,129423-11-6
• Molecular Formula: C8H13 Br N4 O3 . Br H
• Molecular Weight: 374.032
• DSSTox Substance ID: DTXSID90924105
• ChEMBL ID: CHEMBL63754
• Mol file: 129448-97-1.mol

Synonyms:alpha-(((2-bromoethyl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol;CI 1010;PD 144872;RB 6145;RB-6145

Chemical Property of alpha-(((2-Bromoethyl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol monohydrobromide

Chemical Property:

• Vapor Pressure: 5.9E-12mmHg at 25°C
• Boiling Point: 527.5°C at 760 mmHg
• Flash Point: 272.8°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 373.94122
• Heavy Atom Count: 17
• Complexity: 226

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN(C(=N1)[N+](=O)[O-])CC(CNCCBr)O.Br

Technology Process of alpha-(((2-Bromoethyl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol monohydrobromide

There total 5 articles about alpha-(((2-Bromoethyl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol monohydrobromide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.0%

NSC 347503 (88876-88-4) → α-<<(2-bromoethyl)amino>methyl>-2-nitro-1H-imidazole-1-ethanol monohydrobromide (129448-97-1,122178-49-8,153667-41-5,123708-77-0)

Guidance literature:

With hydrogen bromide; In acetone; at 5 - 10 ℃;

DOI:10.1021/jm00171a040

Reference yield: 54.0%

3-<2-hydroxy-3-(2-nitro-1H-imidazol-1-yl)propyl>-2-oxazolidinone (129449-06-5) → α-<<(2-bromoethyl)amino>methyl>-2-nitro-1H-imidazole-1-ethanol monohydrobromide (129448-97-1,122178-49-8,153667-41-5,123708-77-0)

Guidance literature:

With hydrogen bromide; acetic acid; for 20.3h; Ambient temperature;

DOI:10.1021/jm00107a047

Reference yield: 18.2%

→ α-<<(2-bromoethyl)amino>methyl>-2-nitro-1H-imidazole-1-ethanol monohydrobromide (129448-97-1,122178-49-8,153667-41-5,123708-77-0)

Guidance literature:

upstream raw materials:

NSC 347503

α-<<(2-hydroxyethyl)amino>methyl>-2-nitro-1H-imidazole-1-ethanol

3-<2-hydroxy-3-(2-nitro-1H-imidazol-1-yl)propyl>-2-oxazolidinone

(R,S)-3-(oxiranylmethyl)-2-oxazolidinone

Downstream raw materials:

NSC 347503

3-<2-hydroxy-3-(2-nitro-1H-imidazol-1-yl)propyl>-2-oxazolidinone

Refernces

• 1、 -. "Potentiation of bioreductive agents". . . Retrieved 2008/06/13.
• 2、 Suto, Mark J.,Stier, Michael A.,Werbel, Leslie M.. "Dual-Function Radiosensitizers. α-methyl>-2-nitro-1H-imidazole-1-ethanol and Related Compounds: Preparation via an Aziridine Equivalent". . p. 1207 - 1209. Retrieved 2007/10/02.