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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

5H-Dibenz[b,f]azepine, 5-acetyl-3-chloro-10,11-dihydro-

Clc1ccc2c(c1)N(C(=O)C)c1ccccc1CC2 Request for Quotation
Chemical Name: 5H-Dibenz[b,f]azepine, 5-acetyl-3-chloro-10,11-dihydro-
CAS Number: 25961-11-9
Product Number: AG002R6Z(AGN-PC-0JLLDO)
Synonyms:
MDL No:
Molecular Formula: C16H14ClNO
Molecular Weight: 271.7415

Identification/Properties

Properties
MP:
124 °C
BP:
481.2 °C at 760 mmHg
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
271.744g/mol
XLogP3:
3.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
271.076g/mol
Monoisotopic Mass:
271.076g/mol
Topological Polar Surface Area:
20.3A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
346
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


5-Acetyl-3-chloro-10,11-dihydro-5H-dibenz[b,f]azepine is a key intermediate in chemical synthesis, particularly in the production of specialized pharmaceutical compounds. This compound serves as a crucial building block in the synthesis of various bioactive molecules and pharmaceutical drugs due to its unique structural features.In chemical synthesis, 5-Acetyl-3-chloro-10,11-dihydro-5H-dibenz[b,f]azepine is commonly utilized as a versatile starting material for the construction of complex molecular architectures. Its functional groups enable the introduction of additional substituents and modifications, allowing chemists to tailor the properties of the final products for specific applications.Furthermore, the presence of a chlorine atom in the molecule provides an opportunity for further diversification through various chemical transformations, such as nucleophilic substitution reactions or cross-coupling processes. This versatility makes 5-Acetyl-3-chloro-10,11-dihydro-5H-dibenz[b,f]azepine a valuable tool in the synthesis of diverse pharmaceutical intermediates and biologically active compounds.