1-tert-butyl 3-ethyl piperidine-1,3-dicarboxylate

1-tert-butyl 3-ethyl piperidine-1,3-dicarboxylate - Names and Identifiers

Name	Ethyl 1-Boc-3-piperidinecarboxylate
Synonyms	BOC-DL-NIPC-OET BOC-DL-PIC(3)-EOT BOC-DL-PIC(3)-OET ETHYL N-BOC-NIPECOTATE Ethyl 1-Boc-3-piperidinecarboxylate ETHYL 1-BOC-3-PIPERIDINECARBOXYLATE 1-Boc-Piperidine-3-Carboxylic Acid Ethyl Eater N-T-BUTOXYCARBONYL-DL-NIPECOTIC ACID ETHYL ESTER 1-tert-butyl 3-ethyl piperidine-1,3-dicarboxylate 1-(TERT-BUTOXYCARBONYL)-3-(ETHOXYCARBONYL)PIPERIDINE N-T-BUTOXYCARBONYL-DL-PIPERIDINECARBOXYLIC ACID ETHYL ESTER 1,3-Piperidinedicarboxylic acid, 1-(1,1-dimethylethyl) 3-ethyl ester
CAS	130250-54-3
EINECS	623-370-0
InChI	InChI=1/C13H23NO4/c1-5-17-11(15)10-7-6-8-14(9-10)12(16)18-13(2,3)4/h10H,5-9H2,1-4H3

1-tert-butyl 3-ethyl piperidine-1,3-dicarboxylate - Physico-chemical Properties

Molecular Formula	C13H23NO4
Molar Mass	257.33
Density	1.077±0.06 g/cm3(Predicted)
Melting Point	31-35℃
Boling Point	95℃/0.5mm
Flash Point	149.7°C
Vapor Presure	0.000254mmHg at 25°C
Appearance	White solid
Color	White to Yellow to Orange
BRN	3614917
pKa	-2.40±0.40(Predicted)
Storage Condition	under inert gas (nitrogen or Argon) at 2–8 °C
Sensitive	Moisture & Light Sensitive
Refractive Index	1.473
MDL	MFCD04116274

1-tert-butyl 3-ethyl piperidine-1,3-dicarboxylate - Risk and Safety

Hazard Symbols	Xn - Harmful
Risk Codes	R22 - Harmful if swallowed R36 - Irritating to the eyes R43 - May cause sensitization by skin contact R52 - Harmful to aquatic organisms
Safety Description	26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany	3
HS Code	29333990
Hazard Class	IRRITANT

1-tert-butyl 3-ethyl piperidine-1,3-dicarboxylate - Reference Information

Application

The most common use of ethyl N-Boc-3-piperidine formate is as a food additive. It can also be used as a raw material for organic synthesis, a paper treatment agent, a softener for the fiber industry, a softener for animal glue, and an analytical reagent for the determination of amino acid content in rice.

Preparation

Add Boc2O(7.75 mL,33.4
mmol) to piperidine-3-carboxylate (15g,95 mmol) solution stored in THF(159 mL) at room temperature, and then stir at room temperature for 16 h. The resulting reaction mass was diluted with water (50 mL) and then extracted with ethyl acetate (3x100 mL). Wash the combined organic extract with saturated NaHCO3 solution (1
x200 mL) and saline (20 mL), dry (Na2SO4), filter and concentrate. The resulting residue was purified by ELSD ISCO on 120
g silica gel column, about 25% ethyl acetate compounds were eluted in hexane, and the pure fraction was collected and concentrated to obtain the required product 1-tert-butyl3-ethylpiperidine-1, 3-dicarboxylate. The final product N-Boc-3-piperidinoate ethyl acetate was obtained with a yield of 23.39
g,91 mmol,95%.

Last Update：2024-04-09 20:15:17