Cas no 26536-94-7 (1-benzoyl-3-chloroazepan-2-one)
1-Benzoyl-3-chloroazepan-2-one is a heterocyclic compound featuring a seven-membered azepane ring substituted with a benzoyl group at the 1-position and a chlorine atom at the 3-position. This structure imparts reactivity useful in synthetic organic chemistry, particularly as an intermediate in the preparation of pharmacologically active molecules. The presence of both the benzoyl and chloro substituents enhances its versatility in nucleophilic substitution and condensation reactions. Its stable yet modifiable framework makes it valuable for constructing complex nitrogen-containing scaffolds. The compound is typically handled under controlled conditions due to its potential sensitivity to moisture and light, ensuring consistent performance in synthetic applications.
26536-94-7 structure
Product Name:1-benzoyl-3-chloroazepan-2-one
CAS No:26536-94-7
MF:C13H14ClNO2
MW:251.708762645721
CID:272740
PubChem ID:282191
Update Time:2025-06-09
1-benzoyl-3-chloroazepan-2-one Chemical and Physical Properties
Names and Identifiers
-
- 2H-Azepin-2-one,1-benzoyl-3-chlorohexahydro-
- 1-benzoyl-3-chloroazepan-2-one
- (3R)-1-benzoyl-3-chloroazepan-2-one
- (3S)-1-benzoyl-3-chloroazepan-2-one
- 1-Benzoyl-3-chlor-hexahydro-azepin-2-on
- 1-Benzoyl-3-chloro-2-azepanone
- 1-benzoyl-3-chloro-hexahydro-azepin-2-one
- 3-chloro-1-(phenylcarbonyl)azaperhydroepin-2-one
- AC1L5VX7
- F0745-0466
- NSC135375
- SureCN8778504
- MLS001018974
- CHEMBL1350216
- HMS2671O12
- SR-01000008849-1
- NCGC00246055-01
- N-benzoyl-alpha-chloro-epsilon-caprolactam
- 2H-Azepin-2-one, 1-benzoyl-3-chlorohexahydro-
- SR-01000008849
- NSC 135375
- FCTCNPMPXQXJOV-UHFFFAOYSA-N
- Z56885262
- AKOS016038911
- SCHEMBL8778504
- CS-0358091
- VS-08857
- 1-benzoyl-3-chloro-azepan-2-one
- 26536-94-7
- SMR000363382
- NSC-135375
- AKOS000266884
-
- Inchi： 1S/C13H14ClNO2/c14-11-8-4-5-9-15(13(11)17)12(16)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2
- InChI Key： FCTCNPMPXQXJOV-UHFFFAOYSA-N
- SMILES： ClC1C(N(C(C2C=CC=CC=2)=O)CCCC1)=O
Computed Properties
- Exact Mass: 251.07142
- Monoisotopic Mass: 251.0713064g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 300
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 37.4?2
Experimental Properties
- PSA: 37.38
- LogP: 2.38460
1-benzoyl-3-chloroazepan-2-one Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Life Chemicals | F0745-0466-2μmol |
1-benzoyl-3-chloroazepan-2-one |
26536-94-7 | 90%+ | 2μmol |
$57.0 | 2023-08-07 | |
| Life Chemicals | F0745-0466-5μmol |
1-benzoyl-3-chloroazepan-2-one |
26536-94-7 | 90%+ | 5μmol |
$63.0 | 2023-08-07 | |
| Life Chemicals | F0745-0466-10μmol |
1-benzoyl-3-chloroazepan-2-one |
26536-94-7 | 90%+ | 10μmol |
$69.0 | 2023-08-07 | |
| Life Chemicals | F0745-0466-20μmol |
1-benzoyl-3-chloroazepan-2-one |
26536-94-7 | 90%+ | 20μmol |
$79.0 | 2023-08-07 | |
| Life Chemicals | F0745-0466-1mg |
1-benzoyl-3-chloroazepan-2-one |
26536-94-7 | 90%+ | 1mg |
$54.0 | 2023-08-07 | |
| Life Chemicals | F0745-0466-2mg |
1-benzoyl-3-chloroazepan-2-one |
26536-94-7 | 90%+ | 2mg |
$59.0 | 2023-08-07 | |
| Life Chemicals | F0745-0466-3mg |
1-benzoyl-3-chloroazepan-2-one |
26536-94-7 | 90%+ | 3mg |
$63.0 | 2023-08-07 | |
| Life Chemicals | F0745-0466-4mg |
1-benzoyl-3-chloroazepan-2-one |
26536-94-7 | 90%+ | 4mg |
$66.0 | 2023-08-07 | |
| Life Chemicals | F0745-0466-5mg |
1-benzoyl-3-chloroazepan-2-one |
26536-94-7 | 90%+ | 5mg |
$69.0 | 2023-08-07 | |
| Life Chemicals | F0745-0466-10mg |
1-benzoyl-3-chloroazepan-2-one |
26536-94-7 | 90%+ | 10mg |
$79.0 | 2023-08-07 |
1-benzoyl-3-chloroazepan-2-one Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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3. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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