N-Boc-1,2,3,6-tetrahydropyridine - CAS 85838-94-4
Catalog: |
BB037736 |
Product Name: |
N-Boc-1,2,3,6-tetrahydropyridine |
CAS: |
85838-94-4 |
Synonyms: |
3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester; tert-butyl 3,6-dihydro-2H-pyridine-1-carboxylate |
IUPAC Name: | tert-butyl 3,6-dihydro-2H-pyridine-1-carboxylate |
Description: | N-Boc-1,2,3,6-tetrahydropyridine (CAS# 85838-94-4) is used in the synthesis of antitumor agents. Also used in the synthesis of potent CC chemokine receptor 2 antagonists as antiviral and anticancer therapeutics. |
Molecular Weight: | 183.25 |
Molecular Formula: | C10H17NO2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC=CC1 |
InChI: | InChI=1S/C10H17NO2/c1-10(2,3)13-9(12)11-7-5-4-6-8-11/h4-5H,6-8H2,1-3H3 |
InChI Key: | SHHHRQFHCPINIB-UHFFFAOYSA-N |
Boiling Point: | 241.5 °C at 760 mmHg |
Density: | 1.029 g/cm3 |
MDL: | MFCD04972245 |
LogP: | 2.12130 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110862358-A | Aryl-substituted oxadiazinone compound and preparation method and application thereof | 20191120 |
CN-110862358-B | Aryl-substituted oxadiazinone compound and preparation method and application thereof | 20191120 |
CN-110526936-A | A kind of new synthetic method of N- substitution -1,2,5,6- tetrahydropyridine -4- pinacol borate | 20190905 |
WO-2021017065-A1 | Pyrrolopyrazole derivatives, preparation method therefor and application thereof in medicine | 20190726 |
CN-109836385-A | Tetrahydro chinolines N- oxidized derivatives and its preparation method and application | 20190404 |
Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.125928785 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.125928785 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 29.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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Related Functional Groups
Pyridines
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