Norflunitrazepam

Base Information

• Chemical Name: Norflunitrazepam
• CAS No.: 2558-30-7
• Molecular Formula: C15H10 F N3 O3
• Molecular Weight: 299.261
• European Community (EC) Number: 219-878-3
• UNII: 055XLQ0YQ6
• DSSTox Substance ID: DTXSID30180268
• Nikkaji Number: J192.059F
• Wikipedia: Desmethylflunitrazepam
• Wikidata: Q25100044
• ChEMBL ID: CHEMBL87369
• Mol file: 2558-30-7.mol

Synonyms:desmethylflunitrazepam;N-demethylflunitrazepam;N-desmethylflunitrazepam;norflunitrazepam

Chemical Property of Norflunitrazepam

Chemical Property:

• Vapor Pressure: 4.87E-10mmHg at 25°C
• Melting Point: 210-211 °C
• Boiling Point: 497.6°Cat760mmHg
• PKA: 11.17±0.70(Predicted)
• Flash Point: 254.8°C
• PSA: 87.28000
• Density: 1.47g/cm³
• LogP: 2.62020
• Storage Temp.: ?20°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 299.07061935
• Heavy Atom Count: 22
• Complexity: 491

Purity/Quality:

98%Min ^*data from raw suppliers

N-Desmethylflunitrazepam solution 1.0?mg/mL in methanol, ampule of 1?mL, certified reference material, Cerilliant? ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,T
• Hazard Codes: F,T
• Statements: 11-23/24/25-39/23/24/25
• Safety Statements: 7-16-36/37-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3F
• Uses: A metabolite of Flunitrazepam (F500700). A labelled metabolite of Flunitrazepam (F500700).

Technology Process of Norflunitrazepam

There total 7 articles about Norflunitrazepam 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: 87.0%

2?(2?chloroacetamido)?5?nitro?2′?fluorobenzophenone → 5-(2-fluorophenyl)-1,3-dihydro-7-nitro-2H-1,4-benzodiazepin-2-one (2558-30-7)

Guidance literature:

With hexamethylenetetramine; ammonium chloride; In ethanol; for 4h; Reflux;

DOI:10.1007/s13738-018-1555-0

Reference yield: 50.0%

2?(2?chloroacetamido)?5?nitro?2′?fluorobenzophenone → 5-(2-fluorophenyl)-1,3-dihydro-7-nitro-2H-1,4-benzodiazepin-2-one (2558-30-7) + 3-[2-(2-Fluoro-benzoyl)-4-nitro-phenyl]-imidazolidin-4-one + C33H24F2N6O8

Guidance literature:

With hexamethylenetetramine; urotropin hydrochloride; In methanol; water; Yields of byproduct given; Heating;

Reference yield: 50.0%

hexamethylenetetramine (100-97-0) + 2?(2?chloroacetamido)?5?nitro?2′?fluorobenzophenone → 5-(2-fluorophenyl)-1,3-dihydro-7-nitro-2H-1,4-benzodiazepin-2-one (2558-30-7) + 3-[2-(2-Fluoro-benzoyl)-4-nitro-phenyl]-imidazolidin-4-one + C33H24F2N6O8

Guidance literature:

With urotropin hydrochloride; In methanol; water; Heating;

upstream raw materials:

hexamethylenetetramine

2-bromo-2'-(2-fluorobenzoyl)-4'-nitroacetanilide

flunitrazepam

2-amino-5-nitro-2'-fluorobenzophenone

Downstream raw materials:

6-(2-fluoro-phenyl)-8-nitro-4H-benzo[f]imidazo[1,5-a][1,4]diazepine-3-carboxylic acid ethyl ester

7-nitro-1,3-dihydro-5-(2-fluorophenyl)-2H-1,4-benzodiazepine-2-thione

2-amino-5-nitro-2'-fluorobenzophenone

Refernces

• 1、 -. "To improve the octane unleaded light hydrocarbon fuel for vehicle and method for preparing the same". . . Retrieved 2007/10/05.
• 2、 Clarke, George M.,Lee, J. Barry,Swinbourne, Frederick J.,Williamson, Basil. "The Conversion of 2-(2-Chloroacetamido)benzophenones into 2,3-Dihydro-2-oxo-1,4-benzodiazepines. Part III. Further consideration of the hexamine system". . p. 4777 - 4793. Retrieved 2007/10/02.