Ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate

Basic Information

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CAS Number

78755-81-4

Molecular Formula

C15H14FN3O3

Molecular Weight

303.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

198.0 to 202.0 deg-C

Boiling Point

527.98 °C at 760 mmHg

Density

1.39

Water Solubility

128 mg/L

Flash Point

273.1±30.1 °C

Solubility

Soluble in DMSO to 25mM

Refractive Index

1.63

SMILES

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CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)F)C

InChI

InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3

InChIKey

OFBIFZUFASYYRE-UHFFFAOYSA-N

LogP

1.7736999999999998

Topological Polar Surface Area

64.43 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

461

Safety Information

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GHS Hazard Pictograms

H303

Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral

Toxicity

LD50 in mice, rats (mg/kg): 4000, 1360 i.p.; 4300, 6000 orally (Hunkeler)

Synonyms & References

English

SW197598-2
FYP
HMS2234F06
AKOS015888159
ethyl 8-fluoranyl-5-methyl-6-oxidanylidene-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
BRD-K98769987-001-12-0
FLUMAZENIL [INN]
Flumazenil (JAN/USP/INN)
40P7XK9392
SR-01000075879
ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo(1,5-a)(1,4)benzodiazepine-3-carboxylate
FLUMAZENIL (USP-RS)
UPCMLD-DP137:001
NSC 759193
HMS3412G20
NCGC00015439-01
AC-6846
Flumenazil
8-Fluoro-5,6-dihydro-5-methyl-6-oxo -4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid, ethyl ester
MLS001424108
Flumazepil
AS-13923
HMS3676G20
DB01205
PDSP1_001778
RO-41-8157
V03AB25
Ro 151788
Z1546610479
Ethyl 8-fluoro-5,6-dihydro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-carboxylate
flumazenil

MDL Number

MFCD00242764

Customs Code

2933990090

FAQ

What is Ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate (CAS: 78755-81-4)?

Ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate (CAS: 78755-81-4) is a chemical compound belonging to the benzodiazepine class. It has the molecular formula C14H13FN2O3 and is characterized by its fluoro and methyl substituents on the imidazo[1,5-a][1,4]benzodiazepine ring. This compound is known for its potential applications in medicinal chemistry and pharmaceutical research due to its structural complexity and biological activity.

What are the main uses of Ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate (CAS: 78755-81-4)?

Ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate (CAS: 78755-81-4) is primarily used in pharmaceutical research as a potential precursor for drug development. It may be explored for its pharmacological properties in areas such as central nervous system activity. Additionally, it is used in the synthesis of various organic compounds and can serve as an intermediate in chemical manufacturing processes.

Is Ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate (CAS: 78755-81-4) safe?

Ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate (CAS: 78755-81-4) is generally considered safe when handled properly in laboratory settings. However, as with many organic compounds, it should be treated with caution, and appropriate personal protective equipment (PPE) such as gloves and goggles is recommended. Safety data sheets (SDS) should be consulted for detailed handling and disposal instructions.

How should Ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate (CAS: 78755-81-4) be stored?

Ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate (CAS: 78755-81-4) should be stored in a cool, dry, and dark place to maintain its stability. It is typically kept in a sealed container at a temperature below 25°C. Avoid exposure to moisture and direct light to prevent degradation. Proper storage conditions are essential to ensure the compound remains chemically stable and safe for use.