CAS 65214-82-6 Ethyl 4-hydroxypiperidine-1-carboxylate (HCID 96394)

Names & identifiers

Preferred name: Ethyl 4-hydroxypiperidine-1-carboxylate
IUPAC: ethyl 4-hydroxypiperidine-1-carboxylate
English name: Ethyl 4-hydroxypiperidine-1-carboxylate
Molecular formula: C8H15NO3
Molecular weight: 173.21

Names & synonyms

Ethyl 4-hydroxypiperidine-1-carboxylate65214-82-6TR6D7H9MYK1-PIPERIDINECARBOXYLIC ACID, 4-HYDROXY-, ETHYL ESTEREINECS 265-636-5NSC-71891DTXSID50215521NSC 718914-OXYPIPERIDINE-1-CARBOXYLIC ACID ETHYL ESTERRefChem:138773DTXCID80138012265-636-5

Show more names

N-CARBETHOXY-4-PIPERIDINOL1-CARBETHOXY-4-HYDROXYPIPERIDINEN-Carbethoxy-4-piperidino1-CARBETHOXY-4-PIPERIDINOLN-Carboethoxypiperidine-4-OlEthyl 4-Hydroxy-1-piperidineEthyl 4-hydroxypiperidine-1-Ethyl 4-hydroxypiperidine-1-ca1-ETHOXYCARBONYL-4-PIPERIDINOL

Ethyl 4-Hydroxy-1-piperidinecarboxylateMFCD00086880N-Carbethoxy-4-hydroxypiperidine4-Hydroxy-1-piperidinecarboxylic Acid Ethyl EsterNSC718911-(Ethoxycarbonyl)-4-hydroxypiperidineEbastine Impurity 23UNII-TR6D7H9MYK

Database identifiers

CAS: 65214-82-6
PubChem CID: 96394
DTXSID: DTXSID50215521
UNII: TR6D7H9MYK
EC Number: 265-636-5
Nikkaji: J27.984F

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 49.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 152

Physicochemical properties

Boiling point: 120 · 120-130 °C(Press: 0.098 Torr)
Density: 1.12 · 1.12
refractive index: 1.4802 · 1.4802
storage temp.: Inert atmosphere,Room Temperature
form: clear liquid
pka: 14.8 · 14.80±0.20(Predicted)
color: Colorless to Light yellow to Light orange
InChI: InChI=1S/C8H15NO3/c1-2-12-8(11)9-5-3-7(10)4-6-9/h7,10H,2-6H2,1H3
InChIKey: QABJNOSERNVHDY-UHFFFAOYSA-N
SMILES: N1(C(OCC)=O)CCC(O)CC1
CAS DataBase Reference: 65214 · 65214-82-6(CAS DataBase Reference)
FDA UNII: 6 D7H9MYK · TR6D7H9MYK
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 271 · P271-P261-P280
Safety Statements: 24 · 24/25
HS Code: 29333990 · 29333990
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.

Warning

H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 09-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32629

Hazard Classes and CategoriesSkin Irrit. 2 (33.3%)

Safety data

hs_code: 29333990
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Hazard statements: H315-H319-H335
REACH Registrations: Active
Precautionary statements: P271-P261-P280

Chemistry & industry

Applications · 1 item

UsesEthyl 4-hydroxypethidine-1-carboxylate is mainly used as a pharmaceutical intermediate and a raw material for organic matter. It can be used in the synthesis of antihistamines, antipsychotics, antidepressants, and various pesticides. As an intermediate, the compound can also produce fungicides and insecticides. It can be used as a raw material for synthetic surfactants, flavors, and fragrances.

Preparation methods · 1 item

PreparationAdd triethylamine (1.5 equivalent) and ethyl chlorine 4-hydroxypiperidine-1-carboxylate (1.2 equivalent) to the dichloromethane solution of 4-hydroxypiperidine (1.0 equivalent) at 0 °C. Stir the mixture at 0 °C for 30 min. The reaction mixture is then poured into water and extracted with methylene chloride. Wash organic extracts with water and salt water. The compound is placed on sodium sulfate to dry. Finally, the organic extract is concentrated under reduced pressure to obtainEthyl 4-hydroxypiperidine-1-carboxylate.