Basic information
- CAS
275387-83-2- Standard SMILES
C#CC1(O)CCN(C(=O)OC(C)(C)C)CC1- InChIKey
SHEYWYIIXFHSNB-UHFFFAOYSA-N- Molecular formula
- C12H19NO3
- Average molar mass
- 225.28 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-ethynyl-4-hydroxypiperidine-1-carboxylate
- IUPAC
- tert-butyl 4-ethynyl-4-hydroxypiperidine-1-carboxylate
- English name
- tert-butyl 4-ethynyl-4-hydroxypiperidine-1-carboxylate
- Molecular formula
- C12H19NO3
- Molecular weight
- 225.28
Names & synonyms
275387-83-2tert-butyl 4-ethynyl-4-hydroxypiperidine-1-carboxylateRefChem:894017823-037-11-Boc-4-ethynyl-4-hydroxypiperidineMFCD204837084-Ethynyl-1-tert-butoxycarbonylpiperidin-4-olN-Boc-4-hydroxy-4-ethynyl-piperidine1-Piperidinecarboxylic acid, 4-ethynyl-4-hydroxy-, 1,1-dimethylethyl ester1-Boc-4-ethynylpiperidin-4-oltert-Butyl 4-ethynyl-4-hydroxy-piperidine-1-carboxylateSCHEMBL2110226
Show more names
SW-49SWF-49EOS-621911-Boc-4-ethynyl-4-hydroxypiperidine - [E14931]Tert butyl 4-ethynyl-4-hydroxypiperidine-1-formate4-ethynyl-4-hydroxypiperidine-1-carboxylic acid tert-butyl ester
SHEYWYIIXFHSNB-UHFFFAOYSA-NALA38783CS-D1232AKOS025290026PB36213SB20699AS-51480SY116191
Database identifiers
- CAS
275387-83-2
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- Boiling point
- 310.9 · 310.9±42.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 12.84 · 12.84±0.20(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses1-Boc-4-ethynyl-4-hydroxypiperidine is used in preparation of heteroaryl-substituted pyrazolo[1,5-a]pyridines as RET inhibitors, pharmaceutical compounds and uses thereof.
Suppliers35 total
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
重庆诺森医药有限公司15310618205 · [email protected]
Aladdin Scientific[email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
上海宣月科技有限公司15216675652 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
南京圣赛化工有限公司025-85205967 13951876367 · [email protected]
都创（上海）医药科技有限公司021-58099077 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
上海天习化工有限公司021-20960837,QQ1332204249 · [email protected]
Related reactions
8 records
Compound notes
Loading…