2-Chlorodibenzo[b,f][1,4]oxazepin-11(10H)-one

Basic Information

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CAS Number

3158-91-6

Molecular Formula

C13H8ClNO2

Molecular Weight

245.67 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

242-244°C

SMILES

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C1=CC=C2C(=C1)NC(=O)C3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C13H8ClNO2/c14-8-5-6-11-9(7-8)13(16)15-10-3-1-2-4-12(10)17-11/h1-7H,(H,15,16)

InChIKey

ZAGINEPNYIZLLO-UHFFFAOYSA-N

LogP

3.6980000000000013

Topological Polar Surface Area

38.33 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

310

Synonyms & References

English

UNII-XTG2E7M36O
EINECS 221-602-1
XTG2E7M36O
J-018483
2-Chlorodibenz[b,f][1,4]oxazepin-11(10H)-one
2-Chlorodibenz(b,f)(1,4)oxazepin-11(10H)-one
AS-40649
AC-5496
A820918
Dibenz[b,f][1,4]oxazepin-11(10H)-one, 2-chloro-
2-Chlorodibenzo[b,f][1,4]oxazepin-11(10H)-one
LOXAPINE SUCCINATE IMPURITY, CHLORODIBENZOXAZEPINONE-[USP IMPURITY]
8-chloro-5H-benzo[b][1,4]benzoxazepin-6-one
Dibenz(b,f)(1,4)oxazepin-11(10H)-one, 2-chloro-
2-Chlorodibenzo[b,f]-1,4-oxazepin-11(10H)-one
3158-91-6
MFCD06658244
FT-0634709
Q27293991
2-Chlorodibenzo(b,f)-1,4-oxazepin-11-one
SCHEMBL9967368
AKOS015895411
CHLORODIBENZOXAZEPINONE
2-Chloro-10,11-dihydro-11-oxo-dibenzo[b,f][1,4]oxazepine
CS-0006919
2-Chlorodibenz[b,f][1,4]Oxazepin-11(10H)-One
2-CHLORO-10,11-DIHYDRO-11-OXO-DIBEN(B,F)(1,4)OXAZEPINE ( FOR AMOXAPINE )
2-Chlorodibenzo[b,f][1,4]oxazepin-11-one
Dibenz[b,f][1,4]oxazepin-11(10H)-one,2-chloro-

MDL Number

MFCD06658244

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 2-Chlorodibenzo[b,f][1,4]oxazepin-11(10H)-one (CAS: 3158-91-6)?

2-Chlorodibenzo[b,f][1,4]oxazepin-11(10H)-one (CAS: 3158-91-6) is a crystalline solid with a molecular weight of approximately 313.06 g/mol. It has limited water solubility and good solubility in organic solvents. The compound is reactive, particularly towards nucleophiles and reducing agents.

How is 2-Chlorodibenzo[b,f][1,4]oxazepin-11(10H)-one (CAS: 3158-91-6) typically synthesized?

2-Chlorodibenzo[b,f][1,4]oxazepin-11(10H)-one is typically synthesized via the condensation of 2-chlorodibenzo[b,f]azepin-11(10H)-one with chloroformic acid anhydride using a catalyst like triethylamine. The yield is generally around 75-80%, with good regioselectivity.

What industries use 2-Chlorodibenzo[b,f][1,4]oxazepin-11(10H)-one (CAS: 3158-91-6)?

2-Chlorodibenzo[b,f][1,4]oxazepin-11(10H)-one is used in the pharmaceutical industry for the synthesis of various bioactive compounds. It also finds applications in the polymer and semiconductor industries, where its unique chemical properties make it useful as a precursor or intermediate.

What precautions should be taken when handling 2-Chlorodibenzo[b,f][1,4]oxazepin-11(10H)-one (CAS: 3158-91-6)?

When handling 2-Chlorodibenzo[b,f][1,4]oxazepin-11(10H)-one (CAS: 3158-91-6), it is important to wear appropriate personal protective equipment such as gloves, goggles, and a lab coat. Store in a dry, well-ventilated area, and use a fume hood during manipulation. In case of spill, immediately clean up with appropriate absorbent material and consult the Safety Data Sheet (SDS) for further guidance.