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2558-30-7

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Basic Information
CAS No.: 2558-30-7
Name: N-DESMETHYLFLUNITRAZEPAM
Article Data: 13
Molecular Structure:
Molecular Structure of 2558-30-7 (N-DESMETHYLFLUNITRAZEPAM)
Formula: C15H10 F N3 O3
Molecular Weight: 299.261
Synonyms: 2H-1,4-Benzodiazepin-2-one,5-(o-fluorophenyl)-1,3-dihydro-7-nitro- (7CI,8CI); 5-(2-Fluorophenyl)-1,3-dihydro-7-nitro-2H-1,4-benzodiazepin-2-one;Demethylflunitrazepam; Desmethylflunitrazepam; N-1-Desmethylflunitrazepam;N-Desmethylflunitrazepam; Norflunitrazepam; Ro 5-4435
Density: 1.47g/cm3
Melting Point: 210-211 °C
Boiling Point: 497.6°Cat760mmHg
Flash Point: 254.8°C
Hazard Symbols: F,T
Risk Codes: 11-23/24/25-39/23/24/25
Safety: 7-16-36/37-45
PSA: 87.28000
LogP: 2.62020
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Synthetic route

2‑(2‑chloroacetamido)‑5‑nitro‑2′‑fluorobenzophenone

2558-30-7

5-(2-fluorophenyl)-1,3-dihydro-7-nitro-2H-1,4-benzodiazepin-2-one

Conditions
ConditionsYield
With hexamethylenetetramine; ammonium chloride In ethanol for 4h; Reflux;87%
100-97-0

hexamethylenetetramine

2‑(2‑chloroacetamido)‑5‑nitro‑2′‑fluorobenzophenone

A

2558-30-7

5-(2-fluorophenyl)-1,3-dihydro-7-nitro-2H-1,4-benzodiazepin-2-one

B

3-[2-(2-Fluoro-benzoyl)-4-nitro-phenyl]-imidazolidin-4-one

C

C33H24F2N6O8

Conditions
ConditionsYield
With urotropin hydrochloride In methanol; water Heating;A 50%
B n/a
C n/a
...Expand

2‑(2‑chloroacetamido)‑5‑nitro‑2′‑fluorobenzophenone

A

2558-30-7

5-(2-fluorophenyl)-1,3-dihydro-7-nitro-2H-1,4-benzodiazepin-2-one

B

3-[2-(2-Fluoro-benzoyl)-4-nitro-phenyl]-imidazolidin-4-one

C

C33H24F2N6O8

Conditions
ConditionsYield
With hexamethylenetetramine; urotropin hydrochloride In methanol; water Heating; Yields of byproduct given;A 50%
B n/a
C n/a
...Expand

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

2558-30-7

5-(2-fluorophenyl)-1,3-dihydro-7-nitro-2H-1,4-benzodiazepin-2-one

Conditions
ConditionsYield
With hexamethylenetetramine; ammonia; toluene-4-sulfonic acid In ethanol; toluene
1622-62-4

flunitrazepam

2558-30-7

5-(2-fluorophenyl)-1,3-dihydro-7-nitro-2H-1,4-benzodiazepin-2-one

Conditions
ConditionsYield
With human hepatocytes; Williams' Medium E cell culture medium In acetonitrile for 1h; pH=7.4; Enzyme kinetics;
344-80-9

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

2558-30-7

5-(2-fluorophenyl)-1,3-dihydro-7-nitro-2H-1,4-benzodiazepin-2-one

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: dichloromethane / 12 h / 0 - 20 °C
2: hexamethylenetetramine; ammonium chloride / ethanol / 4 h / Reflux
View Scheme
2558-30-7

5-(2-fluorophenyl)-1,3-dihydro-7-nitro-2H-1,4-benzodiazepin-2-one

344-80-9

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

Conditions
ConditionsYield
With hydrogenchloride In ethanol Heating;
2558-30-7

5-(2-fluorophenyl)-1,3-dihydro-7-nitro-2H-1,4-benzodiazepin-2-one

A

7-amino-5-(2-fluoro-phenyl)-1,3,4,5-tetrahydro-benzo[e][1,4]diazepin-2-one

B

5-(2-fluoro-phenyl)-7-hydroxyamino-1,3,4,5-tetrahydro-benzo[e][1,4]diazepin-2-one

Conditions
ConditionsYield
With boric acid; sodium phosphate; citric acid; Triton X-100 In N,N-dimethyl-formamide Mechanism; var. pH's; d.c. polarography, cyclic voltammetry, a.c. polarography and differential pulse polarography reduction;
2558-30-7

5-(2-fluorophenyl)-1,3-dihydro-7-nitro-2H-1,4-benzodiazepin-2-one

2-amino-2'-[o-fluoro-α-(hydroxylimino)benzyl]-4'-nitro-acetanilide

Conditions
ConditionsYield
With hydroxylamine hydrochloride In pyridine; dichloromethane
2999-46-4

Ethyl isocyanoacetate

814-49-3

diethyl chlorophosphate

2558-30-7

5-(2-fluorophenyl)-1,3-dihydro-7-nitro-2H-1,4-benzodiazepin-2-one

69796-86-7

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

Conditions
ConditionsYield
In tetrahydrofuran; dichloromethane; acetic acid; ethyl acetate
...Expand
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