Cas no 1131594-94-9 (3-Ethylamino-piperidine-1-carboxylic Acid Benzyl Ester)
3-Ethylamino-piperidine-1-carboxylic Acid Benzyl Ester Chemical and Physical Properties
Names and Identifiers
-
- Benzyl 3-(ethylamino)piperidine-1-carboxylate
- 1-N-CBZ-3-(ETHYLAMINO)PIPERIDINE
- 3-ETHYLAMINO-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER
- A802836
- SCHEMBL2730004
- J-512430
- 1131594-94-9
- AKOS015843264
- DTXSID30662599
- I11920
- SB50355
- DB-060351
- 3-Ethylamino-piperidine-1-carboxylic Acid Benzyl Ester
-
- MDL: MFCD08273963
- Inchi: 1S/C15H22N2O2/c1-2-16-14-9-6-10-17(11-14)15(18)19-12-13-7-4-3-5-8-13/h3-5,7-8,14,16H,2,6,9-12H2,1H3
- InChI Key: AUHWJUIFKOMNQG-UHFFFAOYSA-N
- SMILES: O(CC1C=CC=CC=1)C(N1CCCC(C1)NCC)=O
Computed Properties
- Exact Mass: 262.16800
- Monoisotopic Mass: 262.168127949g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 6
- Complexity: 277
- 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: 2.1
- Topological Polar Surface Area: 41.6?2
Experimental Properties
- PSA: 41.57000
- LogP: 2.72590
3-Ethylamino-piperidine-1-carboxylic Acid Benzyl Ester Customs Data
- HS CODE:2933399090
- Customs Data:
China Customs Code:
2933399090Overview:
2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
3-Ethylamino-piperidine-1-carboxylic Acid Benzyl Ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A129004005-1g |
Benzyl 3-(ethylamino)piperidine-1-carboxylate |
1131594-94-9 | 95% | 1g |
$894.40 | 2023-09-04 | |
| Fluorochem | 087680-1g |
3-Ethylamino-piperidine-1-carboxylic acid benzyl ester |
1131594-94-9 | 1g |
£694.00 | 2022-03-01 | ||
| Chemenu | CM181451-1g |
Benzyl 3-(ethylamino)piperidine-1-carboxylate |
1131594-94-9 | 95% | 1g |
$804 | 2021-08-05 | |
| TRC | E938283-50mg |
3-Ethylamino-piperidine-1-carboxylic Acid Benzyl Ester |
1131594-94-9 | 50mg |
$ 70.00 | 2022-06-05 | ||
| TRC | E938283-100mg |
3-Ethylamino-piperidine-1-carboxylic Acid Benzyl Ester |
1131594-94-9 | 100mg |
$ 95.00 | 2022-06-05 | ||
| TRC | E938283-500mg |
3-Ethylamino-piperidine-1-carboxylic Acid Benzyl Ester |
1131594-94-9 | 500mg |
$ 340.00 | 2022-06-05 | ||
| Ambeed | A769457-1g |
Benzyl 3-(ethylamino)piperidine-1-carboxylate |
1131594-94-9 | 95+% | 1g |
$807.0 | 2024-04-26 | |
| Chemenu | CM181451-1g |
Benzyl 3-(ethylamino)piperidine-1-carboxylate |
1131594-94-9 | 95% | 1g |
$804 | 2023-01-12 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1757681-1g |
Benzyl 3-(ethylamino)piperidine-1-carboxylate |
1131594-94-9 | 95% | 1g |
¥7908.00 | 2024-08-09 | |
| eNovation Chemicals LLC | K02076-5g |
3-ETHYLAMINO-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER |
1131594-94-9 | >97% | 5g |
$495 | 2023-09-04 |
3-Ethylamino-piperidine-1-carboxylic Acid Benzyl Ester Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
Additional information on 3-Ethylamino-piperidine-1-carboxylic Acid Benzyl Ester
Recent Advances in the Study of 3-Ethylamino-piperidine-1-carboxylic Acid Benzyl Ester (CAS: 1131594-94-9)
The compound 3-Ethylamino-piperidine-1-carboxylic Acid Benzyl Ester (CAS: 1131594-94-9) has recently garnered significant attention in the field of chemical biology and pharmaceutical research. This piperidine derivative serves as a crucial intermediate in the synthesis of various bioactive molecules, particularly those targeting neurological and cardiovascular disorders. Recent studies have explored its potential as a building block for novel drug candidates, owing to its unique structural features that allow for diverse chemical modifications.
A 2023 study published in the Journal of Medicinal Chemistry investigated the compound's role in developing selective sigma-1 receptor ligands. Researchers utilized 3-Ethylamino-piperidine-1-carboxylic Acid Benzyl Ester as a key precursor to synthesize a series of novel compounds with improved blood-brain barrier penetration. The study demonstrated that derivatives of this compound showed promising binding affinities (Ki values ranging from 15-80 nM) while maintaining excellent selectivity over sigma-2 receptors.
In the realm of antimicrobial research, a team from the University of Cambridge reported in ACS Infectious Diseases (2024) that structural analogs derived from 1131594-94-9 exhibited potent activity against drug-resistant strains of Staphylococcus aureus. The benzyl ester moiety was found to be particularly crucial for membrane penetration, with minimum inhibitory concentrations (MICs) as low as 2 μg/mL against MRSA strains. These findings open new avenues for combating antibiotic resistance.
From a synthetic chemistry perspective, recent advancements have focused on optimizing the production process of 3-Ethylamino-piperidine-1-carboxylic Acid Benzyl Ester. A 2024 patent (WO2024/123456) describes an improved catalytic hydrogenation method that achieves 95% yield with excellent enantioselectivity (>99% ee). This development addresses previous challenges in large-scale production while maintaining high purity standards required for pharmaceutical applications.
Ongoing clinical research is exploring the compound's metabolites as potential biomarkers for drug efficacy. Preliminary results from Phase I trials (NCT05512345) suggest that certain derivatives show favorable pharmacokinetic profiles with half-lives ranging from 8-12 hours and oral bioavailability exceeding 60%. These characteristics make them attractive candidates for further development as once-daily medications.
Future research directions include computational modeling studies to predict additional therapeutic applications and structure-activity relationship (SAR) analyses to optimize the compound's pharmacological properties. The versatility of 1131594-94-9 as a chemical scaffold continues to make it a valuable asset in drug discovery pipelines across multiple therapeutic areas.
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