Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

7-Fluoro-3,4-dihydro-4-methyl-1H-1,4-benzodiazepine-2,5-dione

Related Products

Hot Products

Name

7-Fluoro-3,4-dihydro-4-methyl-1H-1,4-benzodiazepine-2,5-dione

EINECS N/A
CAS No. 78755-80-3 Density 1.345 g/cm3
PSA 52.90000 LogP 0.87280
Solubility N/A Melting Point N/A
Formula C10H9FN2O2 Boiling Point 434.5 °C at 760 mmHg
Molecular Weight 208.192 Flash Point 216.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 78755-80-3 (7-Fluoro-3,4-dihydro-4-methyl-1H-1,4-benzodiazepine-2,5-dione) Hazard Symbols N/A
Synonyms

7-Fluoro-3,4-dihydro-4-methyl-1H-1,4-benzodiazepine-2,5-dione;

Article Data 10

7-Fluoro-3,4-dihydro-4-methyl-1H-1,4-benzodiazepine-2,5-dione Synthetic route

321-69-7

5-fluoroisatoic anhydride

107-97-1

sarcosine

78755-80-3

7-fluoro-3,4-dihydro-4-methyl-2H-1,4-benzodiazepine-2,5(1H)-dione

Conditions
ConditionsYield
With pyridine at 5℃; for 7h; Reflux;76%
In dimethyl sulfoxide at 157℃; for 2h;
With pyridine at 100℃; for 8h;5.34 g
446-08-2

2-amino-5-fluorobenzoic acid

78755-80-3

7-fluoro-3,4-dihydro-4-methyl-2H-1,4-benzodiazepine-2,5(1H)-dione

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 1,4-dioxane / 1 h / Cooling; Reflux
2: dimethyl sulfoxide / 2 h / 157 °C
View Scheme
78755-80-3

7-fluoro-3,4-dihydro-4-methyl-2H-1,4-benzodiazepine-2,5(1H)-dione

193693-31-1

2-chloro-7-fluoro-4-methyl-3,4-dihydrobenzo[e][1,4]diazepin-5-one

Conditions
ConditionsYield
With Dimethyl-p-toluidine; trichlorophosphate In toluene at 100℃; for 2h;86%
With N,N-dimethyl-aniline; trichlorophosphate In acetonitrile at 80 - 90℃; for 3h; Large scale;
78755-80-3

7-fluoro-3,4-dihydro-4-methyl-2H-1,4-benzodiazepine-2,5(1H)-dione

1198204-53-3

7-fluoro-4-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine

Conditions
ConditionsYield
With lithium aluminium tetrahydride In 1,4-dioxane at 0 - 20℃; for 4h; Inert atmosphere;62%
2999-46-4

Ethyl isocyanoacetate

78755-80-3

7-fluoro-3,4-dihydro-4-methyl-2H-1,4-benzodiazepine-2,5(1H)-dione

78755-81-4

flumazenil

Conditions
ConditionsYield
Multistep reaction;
110035-82-0

3-(isocyanomethyl)-5-methyl-1,2,4-oxadiazole

78755-80-3

7-fluoro-3,4-dihydro-4-methyl-2H-1,4-benzodiazepine-2,5(1H)-dione

8-Fluoro-5-methyl-3-(5-methyl-[1,2,4]oxadiazol-3-yl)-4,5-dihydro-2,5,10b-triaza-benzo[e]azulen-6-one

Conditions
ConditionsYield
Yield given. Multistep reaction;
110035-81-9

5-Ethyl-3-isocyanomethyl-1,2,4-oxadiazole

78755-80-3

7-fluoro-3,4-dihydro-4-methyl-2H-1,4-benzodiazepine-2,5(1H)-dione

3-(5-Ethyl-[1,2,4]oxadiazol-3-yl)-8-fluoro-5-methyl-4,5-dihydro-2,5,10b-triaza-benzo[e]azulen-6-one

Conditions
ConditionsYield
Yield given. Multistep reaction;
122384-66-1

3-(isocyanomethyl)-5-isopropyl-1,2,4-oxadiazole

78755-80-3

7-fluoro-3,4-dihydro-4-methyl-2H-1,4-benzodiazepine-2,5(1H)-dione

8-Fluoro-3-(5-isopropyl-[1,2,4]oxadiazol-3-yl)-5-methyl-4,5-dihydro-2,5,10b-triaza-benzo[e]azulen-6-one

Conditions
ConditionsYield
Yield given. Multistep reaction;
122384-67-2

3-(isocyanomethyl)-5-n-propyl-1,2,4-oxadiazole

78755-80-3

7-fluoro-3,4-dihydro-4-methyl-2H-1,4-benzodiazepine-2,5(1H)-dione

8-Fluoro-5-methyl-3-(5-propyl-[1,2,4]oxadiazol-3-yl)-4,5-dihydro-2,5,10b-triaza-benzo[e]azulen-6-one

Conditions
ConditionsYield
Yield given. Multistep reaction;
78755-80-3

7-fluoro-3,4-dihydro-4-methyl-2H-1,4-benzodiazepine-2,5(1H)-dione

78755-81-4

flumazenil

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: 86 percent / phosphorus oxychloride; N,N-dimethyl-p-toluidine / toluene / 2 h / 100 °C
2.1: LHMDS / tetrahydrofuran / 1.5 h / -35 °C
2.2: N,N-dimethyl-p-toluidine / tetrahydrofuran / 3 h / -40 - -35 °C
2.3: 98 percent / acetic acid / tetrahydrofuran / 6 h / pH 5 - 7 / Heating
View Scheme
Multi-step reaction with 3 steps
1.1: 86 percent / phosphorus oxychloride; N,N-dimethyl-p-toluidine / toluene / 2 h / 100 °C
2.1: LHMDS / tetrahydrofuran / 2 h / -30 °C
2.2: N,N-dimethyl-p-toluidine / tetrahydrofuran / -35 °C / pH 7
3.1: acetic acid / tetrahydrofuran / pH 5 / Heating
View Scheme

7-Fluoro-3,4-dihydro-4-methyl-1H-1,4-benzodiazepine-2,5-dione Specification

The systematic name of this chemical is 7-fluoro-4-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione. With the CAS registry number 78755-80-3, it is also named as 1H-1,4-Benzodiazepine-2,5-dione, 7-fluoro-3,4-dihydro-4-methyl-. In addition, the formula is C10H9FN2O2 and the molecular weight is 208.19. 

The other characteristics of 7-Fluoro-3,4-dihydro-4-methyl-1H-1,4-benzodiazepine-2,5-dione can be summarized as: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 11.77; (5)ACD/KOC (pH 7.4): 11.77; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 40.62 Å2; (10)Index of Refraction: 1.548; (11)Molar Refractivity: 50.3 cm3; (12)Molar Volume: 158.2 cm3; (13)Polarizability: 19.94×10-24 cm3; (14)Surface Tension: 42.7 dyne/cm; (15)Density: 1.315 g/cm3; (16)Flash Point: 216.6 °C; (17)Enthalpy of Vaporization: 69.07 kJ/mol; (18)Boiling Point: 434.5 °C at 760 mmHg; (19)Vapour Pressure: 9.39E-08 mmHg at 25°C.

People can use the following data to convert to the molecule structure. 
1. SMILES:Fc2cc1c(NC(=O)CN(C1=O)C)cc2
2. InChI:InChI=1/C10H9FN2O2/c1-13-5-9(14)12-8-3-2-6(11)4-7(8)10(13)15/h2-4H,5H2,1H3,(H,12,14) 
3. InChIKey:BKHGZIQXTHAVNJ-UHFFFAOYAI
4. Std. InChI:InChI=1S/C10H9FN2O2/c1-13-5-9(14)12-8-3-2-6(11)4-7(8)10(13)15/h2-4H,5H2,1H3,(H,12,14) 
5. Std. InChIKey:BKHGZIQXTHAVNJ-UHFFFAOYSA-N 

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 78755-80-3