1-Boc-4-[(tosyloxy)methyl]piperidine - CAS 166815-96-9
Catalog: |
BB012317 |
Product Name: |
1-Boc-4-[(tosyloxy)methyl]piperidine |
CAS: |
166815-96-9 |
Synonyms: |
4-[(4-methylphenyl)sulfonyloxymethyl]-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 4-[(4-methylphenyl)sulfonyloxymethyl]piperidine-1-carboxylate |
IUPAC Name: | tert-butyl 4-[(4-methylphenyl)sulfonyloxymethyl]piperidine-1-carboxylate |
Description: | 1-Boc-4-[(tosyloxy)methyl]piperidine (CAS# 166815-96-9) is a useful intermediate used in the preparation of biologically active molecules with pharmacological applications. |
Molecular Weight: | 369.48 |
Molecular Formula: | C18H27NO5S |
Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)OCC2CCN(CC2)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C18H27NO5S/c1-14-5-7-16(8-6-14)25(21,22)23-13-15-9-11-19(12-10-15)17(20)24-18(2,3)4/h5-8,15H,9-13H2,1-4H3 |
InChI Key: | DARTVAOOTJKHQW-UHFFFAOYSA-N |
Boiling Point: | 487.784 °C at 760 mmHg |
Density: | 1.175 g/cm3 |
MDL: | MFCD05864740 |
LogP: | 4.36610 |
GHS Hazard Statement: | H315 (66.67%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112707887-A | Preparation method of aryloxy quinoline compound | 20191024 |
WO-2021077010-A1 | Bifunctional molecules containing an e3 ubiquitine ligase binding moiety linked to a bcl6 targeting moiety | 20191017 |
CN-112457296-A | Pyrimidine compound and preparation method thereof | 20190906 |
WO-2021043260-A1 | Pyrimidine compound and preparation method therefor | 20190906 |
US-2020039979-A1 | Substituted-3H-imidazo[4,5-c]pyridine and 1H-pyrrolo[2,3-c]pyridine series of novel Ectonucleotide Pyrophosphatase/Phosphodiesterase-1 (ENPP1) and Stimulator for Interferon Genes (STING) modulators as cancer immunotherapeutics | 20180801 |
Complexity: | 533 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 369.16099414 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 369.16099414 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 81.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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