Cas no 16607-47-9 (6-benzyl-6-azabicyclo[3.2.1]octan-3-one)
6-Benzyl-6-azabicyclo[3.2.1]octan-3-one is a bicyclic organic compound featuring a fused azabicyclo[3.2.1]octane scaffold with a benzyl substituent at the nitrogen position and a ketone functionality at the 3-position. This structure imparts rigidity and stereochemical complexity, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The ketone group offers versatility for further functionalization, while the benzyl moiety enhances lipophilicity, potentially improving bioavailability. Its well-defined bicyclic framework is advantageous for studying structure-activity relationships in medicinal chemistry. The compound’s stability and synthetic accessibility further contribute to its utility in research and development applications.
![6-benzyl-6-azabicyclo[3.2.1]octan-3-one structure](https://ossimg.kuujia.com/scimg/17000/16607-47-9x500.png)
16607-47-9 structure
Product Name:6-benzyl-6-azabicyclo[3.2.1]octan-3-one
CAS No:16607-47-9
MF:C14H17NO
MW:215.290883779526
MDL:MFCD28955986
CID:1346587
PubChem ID:57485746
Update Time:2025-09-26
6-benzyl-6-azabicyclo[3.2.1]octan-3-one Chemical and Physical Properties
Names and Identifiers
-
- 6-benzyl-6-azabicyclo[3.2.1]octan-3-one
- LogP
- 6-(Phenylmethyl)-6-azabicyclo[3.2.1]octan-3-one
- DTXSID20726876
- SY223632
- E77474
- 6-Azabicyclo[3.2.1]octan-3-one, 6-(phenylmethyl)-
- REVWWFCQBQDVEN-UHFFFAOYSA-N
- EN300-383794
- A1-08031
- PS-20161
- A898417
- SCHEMBL2080202
- MFCD28955986
- 16607-47-9
-
- MDL： MFCD28955986
- Inchi： 1S/C14H17NO/c16-14-7-12-6-13(8-14)15(10-12)9-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2
- InChI Key： REVWWFCQBQDVEN-UHFFFAOYSA-N
- SMILES： O=C1CC2CC(C1)CN2CC1C=CC=CC=1
Computed Properties
- Exact Mass: 215.13111
- Monoisotopic Mass: 215.131014166g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 270
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 20.3?2
Experimental Properties
- Density: 1.140±0.06 g/cm3 (20 oC 760 Torr),
- Boiling Point: 336.682°C at 760 mmHg
- Flash Point: 147.417°C
- Refractive Index: 1.584
- Solubility: Very slightly soluble (0.6 g/l) (25 o C),
- PSA: 20.31
6-benzyl-6-azabicyclo[3.2.1]octan-3-one Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM507606-1g |
6-Benzyl-6-azabicyclo[3.2.1]octan-3-one |
16607-47-9 | 97% | 1g |
$877 | 2023-01-01 | |
| eNovation Chemicals LLC | Y1102218-100mg |
6-benzyl-6-azabicyclo[3.2.1]octan-3-one |
16607-47-9 | 97% | 100mg |
$295 | 2024-07-21 | |
| eNovation Chemicals LLC | Y1102218-250MG |
6-benzyl-6-azabicyclo[3.2.1]octan-3-one |
16607-47-9 | 97% | 250mg |
$470 | 2024-07-21 | |
| eNovation Chemicals LLC | Y1102218-500MG |
6-benzyl-6-azabicyclo[3.2.1]octan-3-one |
16607-47-9 | 97% | 500mg |
$785 | 2024-07-21 | |
| eNovation Chemicals LLC | Y1102218-1G |
6-benzyl-6-azabicyclo[3.2.1]octan-3-one |
16607-47-9 | 97% | 1g |
$1180 | 2024-07-21 | |
| eNovation Chemicals LLC | Y1102218-5G |
6-benzyl-6-azabicyclo[3.2.1]octan-3-one |
16607-47-9 | 97% | 5g |
$3540 | 2024-07-21 | |
| Enamine | EN300-383794-0.05g |
6-benzyl-6-azabicyclo[3.2.1]octan-3-one |
16607-47-9 | 95% | 0.05g |
$140.0 | 2023-05-29 | |
| Enamine | EN300-383794-0.1g |
6-benzyl-6-azabicyclo[3.2.1]octan-3-one |
16607-47-9 | 95% | 0.1g |
$208.0 | 2023-05-29 | |
| Enamine | EN300-383794-0.25g |
6-benzyl-6-azabicyclo[3.2.1]octan-3-one |
16607-47-9 | 95% | 0.25g |
$297.0 | 2023-05-29 | |
| Enamine | EN300-383794-0.5g |
6-benzyl-6-azabicyclo[3.2.1]octan-3-one |
16607-47-9 | 95% | 0.5g |
$467.0 | 2023-05-29 |
6-benzyl-6-azabicyclo[3.2.1]octan-3-one Related Literature
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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