Cas no 496954-55-3 (tert-butyl 4-isothiocyanatopiperidine-1-carboxylate)
Tert-butyl 4-isothiocyanatopiperidine-1-carboxylate is a versatile intermediate in organic synthesis, particularly valued for its reactive isothiocyanate functional group. This compound enables efficient incorporation of the piperidine scaffold into more complex structures, making it useful in pharmaceutical and agrochemical research. The tert-butyloxycarbonyl (Boc) protecting group enhances stability during handling and storage while allowing selective deprotection under mild acidic conditions. Its well-defined reactivity profile facilitates the synthesis of thiourea derivatives and other sulfur-containing heterocycles. The compound’s high purity and consistent performance make it a reliable choice for medicinal chemistry applications, including the development of bioactive molecules and peptidomimetics.
496954-55-3 structure
Product Name:tert-butyl 4-isothiocyanatopiperidine-1-carboxylate
CAS No:496954-55-3
MF:C11H18N2O2S
MW:242.337821483612
CID:1538562
PubChem ID:58591952
Update Time:2025-05-28
tert-butyl 4-isothiocyanatopiperidine-1-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- 1-Piperidinecarboxylic acid, 4-isothiocyanato-, 1,1-dimethylethyl ester
- tert-butyl 4-isothiocyanatopiperidine-1-carboxylate
- NBTBCHWGKWWZDX-UHFFFAOYSA-N
- 496954-55-3
- AKOS023400515
- CS-0312082
- SCHEMBL2275945
- tert-butyl4-isothiocyanatopiperidine-1-carboxylate
- 4-isothiocyanatopiperidine-1-carboxylic acid tert-butyl ester
- EN300-139775
- DA-42314
-
- Inchi： 1S/C11H18N2O2S/c1-11(2,3)15-10(14)13-6-4-9(5-7-13)12-8-16/h9H,4-7H2,1-3H3
- InChI Key： NBTBCHWGKWWZDX-UHFFFAOYSA-N
- SMILES： S=C=NC1CCN(C(=O)OC(C)(C)C)CC1
Computed Properties
- Exact Mass: 242.10904
- Monoisotopic Mass: 242.10889899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 298
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 74?2
Experimental Properties
- PSA: 41.9
tert-butyl 4-isothiocyanatopiperidine-1-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM473496-100mg |
tert-butyl 4-isothiocyanatopiperidine-1-carboxylate |
496954-55-3 | 95%+ | 100mg |
$259 | 2022-09-01 | |
| Chemenu | CM473496-250mg |
tert-butyl 4-isothiocyanatopiperidine-1-carboxylate |
496954-55-3 | 95%+ | 250mg |
$362 | 2022-09-01 | |
| Chemenu | CM473496-500mg |
tert-butyl 4-isothiocyanatopiperidine-1-carboxylate |
496954-55-3 | 95%+ | 500mg |
$662 | 2022-09-01 | |
| Chemenu | CM473496-1g |
tert-butyl 4-isothiocyanatopiperidine-1-carboxylate |
496954-55-3 | 95%+ | 1g |
$844 | 2022-09-01 | |
| Enamine | EN300-139775-0.05g |
tert-butyl 4-isothiocyanatopiperidine-1-carboxylate |
496954-55-3 | 95% | 0.05g |
$162.0 | 2023-06-08 | |
| Enamine | EN300-139775-0.1g |
tert-butyl 4-isothiocyanatopiperidine-1-carboxylate |
496954-55-3 | 95% | 0.1g |
$241.0 | 2023-06-08 | |
| Enamine | EN300-139775-0.25g |
tert-butyl 4-isothiocyanatopiperidine-1-carboxylate |
496954-55-3 | 95% | 0.25g |
$347.0 | 2023-06-08 | |
| Enamine | EN300-139775-0.5g |
tert-butyl 4-isothiocyanatopiperidine-1-carboxylate |
496954-55-3 | 95% | 0.5g |
$546.0 | 2023-06-08 | |
| Enamine | EN300-139775-1.0g |
tert-butyl 4-isothiocyanatopiperidine-1-carboxylate |
496954-55-3 | 95% | 1g |
$699.0 | 2023-06-08 | |
| Enamine | EN300-139775-2.5g |
tert-butyl 4-isothiocyanatopiperidine-1-carboxylate |
496954-55-3 | 95% | 2.5g |
$1370.0 | 2023-06-08 |
tert-butyl 4-isothiocyanatopiperidine-1-carboxylate Related Literature
-
Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
-
Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
-
Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
496954-55-3 (tert-butyl 4-isothiocyanatopiperidine-1-carboxylate) Related Products
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- 273207-08-2(1-Piperidinecarboxylic acid, 4-(isothiocyanatomethyl)-, 1,1-dimethylethyl ester)
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