8-Chloro-1-methyl-1,3,4,5-tetrahydro-2H-benzo[d]azepin-2-one

CAS No. 824430-77-5
Cat. No. CS-0544525
Molecule weight209.67
Purity≥98%
MDL No.None

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8-Chloro-1-methyl-1,3,4,5-tetrahydro-2H-benzo[d]azepin-2-one|CS-0544525

Structure of 824430-77-5

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General Information

CAS No. 824430-77-5
Cat. No. CS-0544525
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₂ClNO
Molecular Weight 209.67
Synonym(s) 8-Chloro-1-methyl-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one
SMILES CC1C2=C(CCNC1=O)C=CC(=C2)Cl

Synthesis

Route1
- 34164-14-2
- ~54%
- 824430-77-5
References
- ARENA PHARMACEUTICALS, INC. Patent: WO2005/3096 A1, 2005 ; Location in patent: Page 52 ; WO 2005/003096 A1
Route2
- 156-41-2
- ~%
- 824430-77-5
References
- Smith, Brian M.; Smith, Jeffrey M.; Tsai, James H.; Schultz, Jeffrey A.; Gilson, Charles A.; Estrada, Scott A.; Chen, Rita R.; Park, Douglas M.; Prieto, Emily B.; Gallardo, Charlemagne S.; Sengupta, Dipanjan; Thomsen, William J.; Saldana, Hazel R.; Whelan, Kevin T.; Menzaghi, Frederique; Webb, Robert R.; Beeley, Nigel R.A. Bioorganic and Medicinal Chemistry Letters, 2005 , vol. 15, # 5 p. 1467 - 1470

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

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Computational Chemistry Data

TPSA 29.1
LogP 2.1158
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Other aromatic heterocycles compounds

Key Words

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8-Chloro-1-methyl-1,3,4,5-tetrahydro-2H-benzo[d]azepin-2-one

CAS No. 824430-77-5

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General Information

Synthesis

References