Ethyl 8-chloro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate | CAS No. 78756-33-9

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

Basic Information

CAS Number

78756-33-9

Molecular Formula

C15H14ClN3O3

Molecular Weight

319.75 g/mol

AD

Basic Physical Properties

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

InChI

InChI=1S/C15H14ClN3O3/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

QORLMYYHZLDYOR-UHFFFAOYSA-N

LogP

2.2880000000000003

Topological Polar Surface Area

64.43 Ų

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

461

Synonyms & References

English

  • SCHEMBL5748925
  • BDBM50034839
  • 8-Chloro-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-triaza-benzo[e]azulene-3-carboxylic acid ethyl ester(Ro 15-1310)
  • ETHYL 8-CHLORO-5-METHYL-6-OXO-5,6-DIHYDRO-4H-BENZO(F)IMIDAZO(1,5-A)(1,4)DIAZEPINE-3-CARBOXYLATE
  • FLUMAZENIL IMPURITY F [EP IMPURITY]
  • RO 15-1310
  • Z3247580758
  • Ethyl 8-chloro-5-methyl-6-oxo-5,6-dihydro-4H-benzo[f]imidazo[1,5-a][1,4]diazepine-3-carboxylate
  • AKOS030600134
  • Ro-151310
  • Ro-15-1310
  • UNII-ZRD5QFZ6DV
  • Ethyl 8-chloro-5,6-dihydro-5-methyl-6-oxo-4H-imidazo(1,5-a)(1,4)benzodiazepine-3-carboxylate
  • ethyl 8-chloro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
  • CHLOROFLUMAZENIL [USP IMPURITY]
  • 8-Chloro-5,6-dihydro-5-methyl-6-oxo-4h-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylicacidethylester
  • ethyl 8-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
  • QORLMYYHZLDYOR-UHFFFAOYSA-N
  • 8-Chloro-5,6-dihydro-5-methyl-6-oxo-4h-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester
  • 78756-33-9
  • ZRD5QFZ6DV
  • DTXSID40229273
  • CHEMBL415290
  • CHLOROFLUMAZENIL
  • 8-Chloro-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-triaza-benzo[e]azulene-3-carboxylic acid ethyl ester
  • 4H-Imidazo(1,5-a)(1,4)benzodiazepine-3-carboxylic acid, 8-chloro-5,6-dihydro-5-methyl-6-oxo-, ethyl ester
  • Flumazenil Impurity F
  • 4H-Imidazo[1,5-a][1,4] benzodiazepine-3-carboxylic acid, 8-chloro-5,6-dihydro-5- methyl-6-oxo-, ethyl ester
  • 8-Chloro-5,6-dihydro-5-methyl-6-oxo-4H-Imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic Acid Ethyl Ester
  • ethyl 8-chloro-5,6-dihydro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
  • Ethyl 8-chloro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]b enzodiazepine-3-carboxylate

FAQ

What are the physical and chemical properties of Ethyl 8-chloro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate (CAS: 78756-33-9)?

Ethyl 8-chloro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate is a crystalline white solid with a molecular weight of approximately 324.02 g/mol. It has a low solubility in water (less than 0.1g/100mL at 25°C) and is soluble in organic solvents like methanol, ethanol, and dichloromethane. The compound is highly reactive, particularly towards nucleophiles and reducing agents.

How is Ethyl 8-chloro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate (CAS: 78756-33-9) typically synthesized?

Ethyl 8-chloro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate can be synthesized via a multi-step process. Initially, a 5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepin-3-one intermediate is prepared. This is then reacted with 8-chloro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid using an esterification procedure, typically catalyzed by a strong acid like sulfuric acid or phosphoric acid, to obtain the final product with a high yield of 80-90%.

What industries use Ethyl 8-chloro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate (CAS: 78756-33-9)?

Ethyl 8-chloro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate is primarily used in the pharmaceutical industry for its potential applications as an intermediate in drug synthesis. It is also utilized in the development of certain sensors and as a building block in organic synthesis for the production of various chemical compounds.

What precautions should be taken when handling Ethyl 8-chloro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate (CAS: 78756-33-9)?

Precautions when handling Ethyl 8-chloro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate include wearing appropriate personal protective equipment (PPE) such as gloves, safety goggles, and lab coats. The compound should be stored in a cool, dry place away from sources of heat and moisture. Spills should be cleaned up immediately using appropriate absorbents, and the area should be well-ventilated. Always refer to the material safety data sheet (MSDS) for detailed handling and disposal instructions.

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