1-(1,2,3,5-Tetrahydro-4H-1,4-benzodiazepin-4-yl)ethanone

Basic Information

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CAS Number

57756-36-2

Molecular Formula

C11H14N2O

Molecular Weight

190.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Basic Physical Properties

SMILES

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CC(=O)N1CCNC2=CC=CC=C2C1

InChI

InChI=1S/C11H14N2O/c1-9(14)13-7-6-12-11-5-3-2-4-10(11)8-13/h2-5,12H,6-8H2,1H3

InChIKey

MXBURCRAYKPWBR-UHFFFAOYSA-N

LogP

1.4606000000000001

Topological Polar Surface Area

32.34 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

217

Synonyms & References

English

1-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)ethanone
DTXSID70465743
MB07527
MXBURCRAYKPWBR-UHFFFAOYSA-N
A831581
1-(1,2,3,5-TETRAHYDRO-BENZO[E][1,4]DIAZEPIN-4-YL)-ETHANONE
1-(2,3-DIHYDRO-1H-BENZO[E][1,4]DIAZEPIN-4(5H)-YL)ETHANONE
57756-36-2
4-Acetyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
SCHEMBL379244
AC-007
AKOS006331477
FT-0649010
1-(1,2,3,5-Tetrahydro-4H-benzo[e][1,4]diazepin-4-yl)ethan-1-one
MFCD09743556
1-(2,3,4,5-TETRAHYDRO-1H-1,4-BENZODIAZEPIN-4-YL)ETHAN-1-ONE
CS-0453889
TS-02683
1-(1,2,3,5-Tetrahydro-4H-1,4-benzodiazepin-4-yl)ethanone
1-(2,3-Dihydro-1H-benzo[e][1,4]diazepin-4(5H)-yl)ethanone
1-(1,2,3,5-Tetrahydro-benzo[e][1,4]diazepin-4-yl)-ethanone
1H-1,4-Benzodiazepine,4-acetyl-2,3,4,5-tetrahydro
4-Acetyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin
4-acetyl-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine
4-Acetyl-2,3,4,5-tetrahydro-1H-benzodiazepin
4-acetyl-2,3,4,5-tetrahydro-1H-benzodiazepine
4-acetyl-2,3,4,5-tetrahydro-4H-benzo[1,4]diazepine
BEN207

MDL Number

MFCD09743556

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 1-(1,2,3,5-Tetrahydro-4H-1,4-benzodiazepin-4-yl)ethanone (CAS: 57756-36-2)?

1-(1,2,3,5-Tetrahydro-4H-1,4-benzodiazepin-4-yl)ethanone is a white crystalline powder with a molecular weight of 272.29 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and dimethylformamide. This compound is known for its moderate reactivity, particularly in nucleophilic substitution reactions. It is stable under normal conditions but should be stored in a cool, dry place away from direct sunlight.

How is 1-(1,2,3,5-Tetrahydro-4H-1,4-benzodiazepin-4-yl)ethanone (CAS: 57756-36-2) typically synthesized?

1-(1,2,3,5-Tetrahydro-4H-1,4-benzodiazepin-4-yl)ethanone can be synthesized via a multi-step process involving the protection of a diazepine ring, followed by the introduction of an ethanone group. Commonly, diazepine derivatives are prepared from appropriate precursors using protecting group chemistry, and then the ethanone group is introduced through acylation. This synthesis typically involves the use of acyl chlorides or acid anhydrides as acylating agents, with the overall yield varying depending on the specific starting materials and conditions used.

What industries use 1-(1,2,3,5-Tetrahydro-4H-1,4-benzodiazepin-4-yl)ethanone (CAS: 57756-36-2)?

1-(1,2,3,5-Tetrahydro-4H-1,4-benzodiazepin-4-yl)ethanone (CAS: 57756-36-2) is primarily used in the pharmaceutical industry for the development of certain drugs. It also finds applications in the polymer industry for specific polymer modifications, and in the chemical sensing field as a component in certain sensor technologies. Its use in semiconductors and electronics remains limited but is explored for specific applications.

What precautions should be taken when handling 1-(1,2,3,5-Tetrahydro-4H-1,4-benzodiazepin-4-yl)ethanone (CAS: 57756-36-2)?

When handling 1-(1,2,3,5-Tetrahydro-4H-1,4-benzodiazepin-4-yl)ethanone (CAS: 57756-36-2), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or within a fume hood to minimize exposure. Spills should be cleaned up immediately, and the material should be disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.