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8-Chloro-5,10-dihydro-11H-dibenzo[b,e][1,4]-diazepin-11-one , CAS No.50892-62-1
a useful intermediate for the preparation of pharmaceutical actives and fine chemicals
Basic Description
Synonyms
H10197 | 8-Chloro-5, 10-dihydro-11H-dibenzo (b, E) (1, 4) diazepin-11-one | 8-Chloro-5,10-dihydrodebenzo[b,e][1,4]diazepin-11-one | 8-Chloro-11-oxo-5H-dibenzo[b,e][1,4]diazepine | 8-CHLORO-5,10-DIHYDRODIBENZO(B,E)(1,4)DIAZEPIN-11-ONE | SCHEMBL1368761 | 8-
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
8-Chloro-5,10-dihydro-11H-dibenzo[b,e][1,4]-diazepin-11-one is a useful intermediate for the preparation of pharmaceutical actives and fine chemicals.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodiazepines
Subclass
Dibenzodiazepines
Intermediate Tree Nodes
Not available
Direct Parent
Dibenzodiazepines
Alternative Parents
1,4-benzodiazepines 1,4-diazepines Benzenoids Aryl chlorides Vinylogous amides Secondary carboxylic acid amides Lactams Amino acids and derivatives Secondary amines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzodiazepine - 1,4-benzodiazepine - Para-diazepine - Aryl chloride - Aryl halide - Benzenoid - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Secondary amine - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic oxide - Amine - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dibenzodiazepines. These are compounds containing a dibenzodiazepine moiety, which consists of two benzene connected by diazepine ring.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
3-chloro-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
INCHI
InChI=1S/C13H9ClN2O/c14-8-5-6-11-12(7-8)16-13(17)9-3-1-2-4-10(9)15-11/h1-7,15H,(H,16,17)
InChIKey
YVWNDABPZGGQFE-UHFFFAOYSA-N
Smiles
C1=CC=C2C(=C1)C(=O)NC3=C(N2)C=CC(=C3)Cl
Isomeric SMILES
C1=CC=C2C(=C1)C(=O)NC3=C(N2)C=CC(=C3)Cl
Molecular Weight
244.68
Reaxy-Rn
884846
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=884846&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in Chloroform and Methanol
Melt Point(°C)
233-236° C
Molecular Weight
244.670 g/mol
XLogP3
3.000
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
244.04 Da
Monoisotopic Mass
244.04 Da
Topological Polar Surface Area
41.100 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
310.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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