(S)-1-Boc-3-hydroxypiperidine
Synonym(s):(S)-tert-Butyl 3-hydroxypiperidine-1-carboxylate
- CAS NO.:143900-44-1
- Empirical Formula: C10H19NO3
- Molecular Weight: 201.26
- MDL number: MFCD06659041
- EINECS: 1308068-626-2
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-06-05 13:26:43
What is (S)-1-Boc-3-hydroxypiperidine?
Description
(S)-1-Boc-3-hydroxypiperidine, alias (S)-N-Boc-3-hydroxypiperidine (S-NBHP) is an important chiral intermediate for the synthesis of ibrutinib, an anticancer drug targeting B-cell malignancies.S-NBHP can be prepared in a variety of ways such as chemically or biocatalytically. S-NBHP can be prepared in various ways, such as chemical synthesis or biocatalysis. Biocatalysis is an efficient process for the reduction of N-Boc-piperidin-3-one by recombinant keto reductase (KRED) catalytic to obtain optically pure S-NBHP using 99% yield. The asymmetric reduction of N-Boc-piperidin-3-one (NBPO) to (S)-NBHP can also be catalysed by a reductase (YDR541C) isolated from Saccharomyces cerevisiae in 99% yield.
Chemical properties
White powder
The Uses of (S)-1-Boc-3-hydroxypiperidine
A piperidine derivative with an amine protecting group, (S)-1-Boc-3-hydroxypiperidine can be used in the preparation of biologically active compounds such as antagonists of the human P2X7 receptor and selective irreversible inhibitors for bruton's tyrosine kinase.
The Uses of (S)-1-Boc-3-hydroxypiperidine
(S)-1-Boc-3-hydroxypiperidine is used as pharmaceutical intermediate.
Properties of (S)-1-Boc-3-hydroxypiperidine
Melting point: | 34-40 °C |
Boiling point: | 292.3±33.0 °C(Predicted) |
Density | 1.107±0.06 g/cm3(Predicted) |
Flash point: | 110 °C |
storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
solubility | Soluble in methanol. |
form | Powder or Crystalline Powder |
pka | 14.74±0.20(Predicted) |
color | White to tan |
optical activity | [α]22/D +10.0°, c = 1 in chloroform |
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/t8-/m0/s1 |
CAS DataBase Reference | 143900-44-1(CAS DataBase Reference) |
Safety information for (S)-1-Boc-3-hydroxypiperidine
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for (S)-1-Boc-3-hydroxypiperidine
InChIKey | UIJXHKXIOCDSEB-QMMMGPOBSA-N |
SMILES | N1(C(OC(C)(C)C)=O)CCC[C@H](O)C1 |
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