845267-78-9

Name	tert-butyl 2,4-dioxopiperidine-1-carboxylate
Synonyms	N-BOC-2,4-dioxopiperidine N-Boc-2,4-Piperidinedione N-Boc-piperidine-2,4-dione 1-Boc-Piperidine-2,4-dione 1-Boc-2, 4-piperidinedion... tert-butyl 2,4-dioxopiperidine-1-carboxylate TERT-BUTYL 2,4-DIOXOPIPERIDINE-1-CARBOXYLATE 1,1-Dimethylethyl 2,4-dioxo-1-piperidinecarboxylate 1,1-Dimethylethyl 2,4-dioxopiperidine-1-carboxylate 2,4-Dioxopiperidine-1-carboxylic acid tert-butyl ester tert-butyl 2,4-dioxopiperidine-1-carboxylate, 1-piperidinecarboxylic acid, 2,4-dioxo-1,1-dimethylethyl ester, 1-boc-piperidine-2,4-dione, N-Boc-2,4-dioxopiperidine, 2,4-dioxopiperidine-1-carboxylic acid tert-butyl ester, N-tert-butoxycarbonyl-piperidine-2,4-dione, t-butyl 2,4-dioxopiperidine-1-carboxylate
CAS	845267-78-9
EINECS	825-755-0
InChI	InChI=1/C10H15NO4/c1-10(2,3)15-9(14)11-5-4-7(12)6-8(11)13/h4-6H2,1-3H3
InChIKey	SLCAHLSQXDNQSF-UHFFFAOYSA-N

Molecular Formula	C10H15NO4
Molar Mass	213.23
Density	1.199
Boling Point	373.8±35.0 °C(Predicted)
Flash Point	179.9°C
Vapor Presure	8.72E-06mmHg at 25°C
pKa	10.67±0.20(Predicted)
Storage Condition	Keep in dark place,Sealed in dry,Room Temperature
Refractive Index	1.493
MDL	MFCD10566071

Risk Codes	20/21/22 - Harmful by inhalation, in contact with skin and if swallowed.
Safety Description	S23 - Do not breathe vapour. S24/25 - Avoid contact with skin and eyes.
WGK Germany	3
HS Code	29337900

Use	2, 4-dipiperidon-1-formate tert-butyl formate is the synthesis of phenoxymethyl-dihydrothiazolopyridone derivatives Reactants in the product, as a selective positive structure modulator (PAM) of the metabolized glutamate 5(mGlu5) receptor.
application	2, 4-dioperidone-1-tert-butyl formate is mainly used as organic intermediate and pharmaceutical intermediate, and can be used in laboratory research and development process and chemical medicine synthesis process.
preparation	step a: add EDCI(191.7g) to DMF(400mL) solution of 3-(tert-butoxycarbonylamino) propionic acid (189.2g,1.0mol), meldamic acid (144.1g,1.0mol) and DMAP(135.0g,1.1mol) cooled by ice bath, 1.0mol). The resulting reactants were stirred overnight at room temperature. The reaction was quenched with 200mL H2O. The resulting mixture was added dropwise to H2O(2.0L) under mechanical stirring. The obtained solid was filtered and thoroughly washed with water to pH 7 to obtain the product (283g,90% yield). Step B: A solution of 3-(2, 2-dimethyl-4, 6-dioxo-1, 3-dioxan-5-yl)-3-oxopropylcarbamate tert-butyl ester (100g,317.46mmol) in toluene (1500mL) is heated at 100°C for 4 hours. The reactants are cooled to room temperature and concentrated under reduced pressure to obtain a crude product. The product (56g,83% yield) was purified by MTBE-grinding.

Last Update：2024-04-09 15:16:38

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