Boc-(R,S)-3-hydroxypiperidine - CAS 85275-45-2
Catalog: |
BB037572 |
Product Name: |
Boc-(R,S)-3-hydroxypiperidine |
CAS: |
85275-45-2 |
Synonyms: |
1-Boc-3-piperidinol; 3-Hydroxy-piperidine-1-carboxylic acid tert-butyl ester |
IUPAC Name: | tert-butyl 3-hydroxypiperidine-1-carboxylate |
Description: | Boc-(R,S)-3-hydroxypiperidine (CAS# 85275-45-2) is being clinically evaluated for the treatment of cancer. |
Molecular Weight: | 201.27 |
Molecular Formula: | C10H19NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCCC(C1)O |
InChI: | InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-6-4-5-8(12)7-11/h8,12H,4-7H2,1-3H3 |
InChI Key: | UIJXHKXIOCDSEB-UHFFFAOYSA-N |
Boiling Point: | 292.3±33.0 °C (Predicted) |
Melting Point: | 65-67 °C |
Purity: | 98 % (GC) |
Density: | 1.107±0.06 g/cm3(Predicted) |
Appearance: | White to off-white to light yellow crystals or powder or oil |
Storage: | Store at 2-8 °C |
MDL: | MFCD02093938 |
LogP: | 1.31610 |
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 |
WO-2021127397-A1 | Nitrogen heterocyclic compounds and methods of use | 20191219 |
WO-2021097240-A1 | Compounds and uses thereof | 20191113 |
WO-2021097057-A1 | 5-membered heteroarylaminosulfonamides for treating conditions mediated by deficient cftr activity | 20191112 |
US-2021101892-A1 | Bicyclic compound and use thereof | 20191002 |
WO-2021009568-A1 | Benzenesulfonamide derivatives and uses thereof | 20190717 |
PMID | Publication Date | Title | Journal |
11594808 | 20011018 | Unprecedented oxidation of a phenylglycinol-derived 2-pyridone: enantioselective synthesis of polyhydroxypiperidines | Organic letters |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.13649347 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.13649347 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.8 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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