Basic information
- CAS
143306-65-4- Standard SMILES
CC(C)(C)OC(=O)N1CCC(O)C(C)(C)C1- InChIKey
QZMUVNRDYLNZDA-UHFFFAOYSA-N- Molecular formula
- C12H23NO3
- Average molar mass
- 229.32 g/mol
- Monoisotopic mass
- 229.1677936
Names & identifiers
- Preferred name
- tert-Butyl 4-hydroxy-3,3-dimethylpiperidine-1-carboxylate
- IUPAC
- tert-butyl 4-hydroxy-3,3-dimethylpiperidine-1-carboxylate
- English name
- 1-Piperidinecarboxylic acid, 4-hydroxy-3,3-dimethyl-, 1,1-dimethylethyl ester
- Molecular formula
- C12H23NO3
- Molecular weight
- 229.32
Names & synonyms
143306-65-4TERT-BUTYL 4-HYDROXY-3,3-DIMETHYLPIPERIDINE-1-CARBOXYLATEDTXSID30693848RefChem:894061DTXCID30644597852-518-91-Boc-4-hydroxy-3,3-dimethylpiperidineMFCD119773434-Hydroxy-3,3-diMethyl-1-piperidinecarboxylic Acid 1,1-DiMethylethyl Ester1-Boc-3,3-dimethylpiperidin-4-ol1-Piperidinecarboxylic acid, 4-hydroxy-3,3-dimethyl-, 1,1-dimethylethyl esterSCHEMBL2777507
Show more names
1-Piperidinecarboxylicacid, 4-hydroxy-3,3-dimethyl-, 1,1-dim...4-hydroxy-3,3-diMethyl-1-piperidinecarboxylic acid tert-butyl ester
QZMUVNRDYLNZDA-UHFFFAOYSA-NTFA30665AKOS015897865SB11750AS-34002SY042404CS-0048212EN300-206514
Database identifiers
- CAS
143306-65-4- PubChem CID
- 53393265
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Boiling point
- 306.3 · 306.3±35.0 °C(Predicted)
- Density
- 1.041 · 1.041±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- solid
- pka
- 14.85 · 14.85±0.40(Predicted)
- Appearance
- Colorless to light yellow Liquid
- InChI
- 1S/C12H23NO3/c1-11(2,3)16-10(15)13-7-6-9(14)12(4,5)8-13/h9,14H,6-8H2,1-5H3
- InChIKey
- QZMUVNRDYLNZDA-UHFFFAOYSA-N
- SMILES
- O=C(OC(C)(C)C)N1CC(C)(C)C(O)CC1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 301 · P301+P330+P331+P310
- RIDADR
- 2811 · UN2811
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- ridadr
- UN2811
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P301+P330+P331+P310
Chemistry & industry
Applications
Uses4-Hydroxy-3,3-dimethyl-1-piperidinecarboxylic Acid 1,1-Dimethylethyl Ester is a useful synthetic intermediate. It can be used to prepare hydroxyquinoxalinecarboxamides for treatment of blood coagulation disorders.
Suppliers37 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [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]
Compound Net Biotechnology Inc.15266686121 · [email protected]
河北贝克曼生物科技有限公司15961617865 15961617865 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
Related reactions
2 records
Compound notes
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