Cas no 189321-64-0 (tert-butyl 3-isocyanatopiperidine-1-carboxylate)
Tert-butyl 3-isocyanatopiperidine-1-carboxylate is a versatile intermediate in organic synthesis, particularly valued for its reactive isocyanate functional group and Boc-protected amine. The tert-butyloxycarbonyl (Boc) group provides stability under basic conditions while allowing selective deprotection under acidic conditions, making it useful in multi-step synthetic routes. The isocyanate moiety enables efficient coupling with nucleophiles such as amines or alcohols, facilitating the formation of ureas or carbamates. This compound is commonly employed in pharmaceutical and peptide chemistry for constructing complex molecular architectures. Its well-defined reactivity and compatibility with diverse reaction conditions make it a reliable choice for researchers developing bioactive compounds or advanced materials.
189321-64-0 structure
Product Name:tert-butyl 3-isocyanatopiperidine-1-carboxylate
CAS No:189321-64-0
MF:C11H18N2O3
MW:226.272222995758
CID:115608
PubChem ID:53432565
Update Time:2025-05-27
tert-butyl 3-isocyanatopiperidine-1-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- 1-Piperidinecarboxylicacid, 3-isocyanato-, 1,1-dimethylethyl ester
- tert-butyl 3-isocyanatopiperidine-1-carboxylate
- SCHEMBL3055335
- DTXSID40700577
- 189321-64-0
- AB49560
- 1-Piperidinecarboxylic acid, 3-isocyanato-, 1,1-dimethylethyl ester
- EN300-1878660
- FT-0708960
-
- Inchi： 1S/C11H18N2O3/c1-11(2,3)16-10(15)13-6-4-5-9(7-13)12-8-14/h9H,4-7H2,1-3H3
- InChI Key： KOXWXSXYBKIVDA-UHFFFAOYSA-N
- SMILES： O(C(N1CCCC(C1)N=C=O)=O)C(C)(C)C
Computed Properties
- Exact Mass: 226.13184
- Monoisotopic Mass: 226.132
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 303
- 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
- Topological Polar Surface Area: 59A^2
- XLogP3: 2.4
Experimental Properties
- PSA: 58.97
tert-butyl 3-isocyanatopiperidine-1-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1878660-0.05g |
tert-butyl 3-isocyanatopiperidine-1-carboxylate |
189321-64-0 | 95% | 0.05g |
$218.0 | 2023-09-18 | |
| Enamine | EN300-1878660-0.1g |
tert-butyl 3-isocyanatopiperidine-1-carboxylate |
189321-64-0 | 95% | 0.1g |
$326.0 | 2023-09-18 | |
| Enamine | EN300-1878660-0.25g |
tert-butyl 3-isocyanatopiperidine-1-carboxylate |
189321-64-0 | 95% | 0.25g |
$466.0 | 2023-09-18 | |
| Enamine | EN300-1878660-0.5g |
tert-butyl 3-isocyanatopiperidine-1-carboxylate |
189321-64-0 | 95% | 0.5g |
$735.0 | 2023-09-18 | |
| Enamine | EN300-1878660-1.0g |
tert-butyl 3-isocyanatopiperidine-1-carboxylate |
189321-64-0 | 95% | 1g |
$943.0 | 2023-05-26 | |
| Enamine | EN300-1878660-2.5g |
tert-butyl 3-isocyanatopiperidine-1-carboxylate |
189321-64-0 | 95% | 2.5g |
$1848.0 | 2023-09-18 | |
| Enamine | EN300-1878660-5.0g |
tert-butyl 3-isocyanatopiperidine-1-carboxylate |
189321-64-0 | 95% | 5g |
$2732.0 | 2023-05-26 | |
| Enamine | EN300-1878660-10.0g |
tert-butyl 3-isocyanatopiperidine-1-carboxylate |
189321-64-0 | 95% | 10g |
$4052.0 | 2023-05-26 | |
| 1PlusChem | 1P002IQ9-50mg |
1-Piperidinecarboxylic acid, 3-isocyanato-, 1,1-dimethylethyl ester |
189321-64-0 | 95% | 50mg |
$322.00 | 2024-06-17 | |
| 1PlusChem | 1P002IQ9-100mg |
1-Piperidinecarboxylic acid, 3-isocyanato-, 1,1-dimethylethyl ester |
189321-64-0 | 95% | 100mg |
$465.00 | 2024-06-17 |
tert-butyl 3-isocyanatopiperidine-1-carboxylate Related Literature
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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