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Tert-butyl 2-acetylpyrrolidine-1-carboxylate, a chemical compound with the molecular formula C12H21NO3, is a yellowish oil that plays a significant role in organic synthesis and pharmaceutical research. Known for its unique structure and functional groups, tert-butyl 2-acetylpyrrolidine-1-carboxylate serves as a chiral building block in the preparation of various pharmaceutical and agrochemical products. Its potential pharmacological properties make it an important molecule in the field of medicinal chemistry.

92012-22-1

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92012-22-1 Usage

Uses

Used in Pharmaceutical Industry:
Tert-butyl 2-acetylpyrrolidine-1-carboxylate is used as a chiral building block for the synthesis of various pharmaceutical products. Its unique structure and functional groups enable the creation of enantiomerically pure compounds, which are essential for the development of effective and safe medications.
Used in Agrochemical Industry:
In the agrochemical industry, tert-butyl 2-acetylpyrrolidine-1-carboxylate is utilized as a chiral building block for the synthesis of agrochemical products. Its ability to form enantiomerically pure compounds contributes to the development of effective and environmentally friendly pesticides and other agrochemicals.
Used in Organic Synthesis:
Tert-butyl 2-acetylpyrrolidine-1-carboxylate is used as a reagent in the synthesis of chiral intermediates and bioactive compounds. Its unique structure and functional groups make it a valuable component in the preparation of complex organic molecules, contributing to the advancement of organic chemistry.
Used in Medicinal Chemistry Research:
Due to its potential pharmacological properties, tert-butyl 2-acetylpyrrolidine-1-carboxylate is used in medicinal chemistry research to explore its therapeutic applications. Studies on tert-butyl 2-acetylpyrrolidine-1-carboxylate may lead to the discovery of new drugs and therapeutic agents, further expanding its utility in the field of medicine.

Check Digit Verification of cas no

The CAS Registry Mumber 92012-22-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,2,0,1 and 2 respectively; the second part has 2 digits, 2 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 92012-22:
(7*9)+(6*2)+(5*0)+(4*1)+(3*2)+(2*2)+(1*2)=91
91 % 10 = 1
So 92012-22-1 is a valid CAS Registry Number.

92012-22-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-Pyrrolidinecarboxylic acid, 2-acetyl-, 1,1-dimethylethyl ester

1.2 Other means of identification

Product number -
Other names tert-butyl 2-acetylpyrrolidine-1-carboxylate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:92012-22-1 SDS

92012-22-1Relevant academic research and scientific papers

Efficient Analysis of 2-Acetyl-1-pyrroline in Foods Using a Novel Derivatization Strategy and LC-MS/MS

Jost, Tobias,Heymann, Thomas,Glomb, Marcus A.

, p. 3046 - 3054 (2019/03/11)

2-Acetyl-1-pyrroline (2-AP) is a key odorant in many foods, such as aromatic rice and wheat bread, with a very low odor threshold of 0.05 μg/L in water. The small molecule with a popcornlike, roasty odor is generated biologically or by Strecker degradation within the Maillard-reaction cascades during thermal food processing with methylglyoxal and 1-pyrroline as the main direct precursors. Numerous gas-chromatographic methods for the analysis of 2-AP have been published, but the reactivity of the compound leads to discrimination or degradation during sample workup. We developed a novel derivatization method for 2-AP with o-phenylenediamine followed by HPLC-MS/MS analysis of the resulting stable quinoxaline. The precision (7%), repeatability (14%), recovery (92%), linearity (0.79-500 μg/kg), limit of detection (LOD, 0.26 μg/kg), and limit of quantitation (LOQ, 0.79 μg/kg) were validated for rice matrix and were excellent as compared with those of methods published before. With the novel method, 2-AP levels in typical foods like aromatic rice (131 μg/kg), wheat bread (18 μg/kg), brown bread (18 μg/kg), rye bread (18 μg/kg), and popcorn (38 μg/kg) were determined.

Palladium-catalyzed asymmetric allylic alkylation of acyclic ketones for synthesis of 2,2-disubsituted pyrrolidine derivatives

Lian, Wen-Fang,Wang, Cui-Cui,Kang, Huai-Ping,Li, Hai-Ling,Feng, Juan,Liu, Shouxin,Zhang, Zhi-Wei

supporting information, p. 1399 - 1402 (2017/03/17)

Palladium-catalyzed asymmetric allylic alkylation of acyclic ketones represents a significant challenge in organic synthesis. We report herein that the synthesis of chiral 2,2-disubsituted pyrrolidines from acyclic ketones has been accomplished by using catalytic asymmetric method in the presence of Pd(dba)2 and (R)-binap ligand. Theses reactions occur between allyl methyl carbonate and unstabilized acyclic lithium enolates to provide the products in moderate to good enantioselectivity (up to 81% ee).

New short and general synthesis of three key Maillard flavour compounds: 2-Acetyl-1-pyrroline, 6-acetyl-1,2,3,4-tetrahydropyridine and 5-acetyl-2,3-dihydro-4H-1,4-thiazine

Deblander, Jurgen,Van Aeken, Sam,Adams, An,De Kimpe, Norbert,Abbaspour Tehrani, Kourosch

, p. 327 - 331 (2014/08/18)

A new general synthetic route towards three key Maillard flavour compounds, namely 2-acetyl-1-pyrroline, 6-acetyl-1,2,3,4-tetrahydropyridine and 5-acetyl-2,3-dihydro-4H-1,4-thiazine, was developed. The key step in the process is the methylenation reaction of azaheterocyclic carboxylic esters by means of dimethyltitanocene, giving rise to intermediate vinyl ethers which can be considered as excellent and stable precursors for the title compounds, as a simple acidic treatment of these precursors suffices to release the characteristic Maillard flavours.

New short and general synthesis of three key Maillard flavour compounds: 2-Acetyl-1-pyrroline, 6-acetyl-1,2,3,4-tetrahydropyridine and 5-acetyl-2,3-dihydro-4H-1,4-thiazine

Deblander, Jurgen,Van Aeken, Sam,Adams, An,De Kimpe, Norbert,Abbaspour Tehrani, Kourosch

, p. 327 - 331 (2015/01/30)

A new general synthetic route towards three key Maillard flavour compounds, namely 2-acetyl-1-pyrroline, 6-acetyl-1,2,3,4-tetrahydropyridine and 5-acetyl-2,3-dihydro-4H-1,4-thiazine, was developed. The key step in the process is the methylenation reaction of azaheterocyclic carboxylic esters by means of dimethyltitanocene, giving rise to intermediate vinyl ethers which can be considered as excellent and stable precursors for the title compounds, as a simple acidic treatment of these precursors suffices to release the characteristic Maillard flavours.

Arylation of α-chiral ketones by palladium-catalyzed cross-coupling reactions of tosylhydrazones with aryl halides

Barluenga, Jose,Escribano, Maria,Aznar, Fernando,Valde, Carlos

supporting information; experimental part, p. 6856 - 6859 (2010/12/19)

(Figure Presented) Papa was a rollin' ketone: Arylation of ketones with preservation of the chirality in configurationally unstable α-chiral ketones has been achieved by the palladium-catalyzed cross-coupling reaction between tosylhydrazones and aryl halides (see scheme; Boc=tert-butoxycarbonyl, Ts=4-toluenesulfonyl). The regioselectivity in the β-hydride elimination step is key for the retention of configuration.

Microwave-assisted synthesis of novel (5-nitropyridin-2-yl)alkyl and (5-nitropyridin-3-yl)alkyl carbamates

Henry, Christophe,Haupt, Andreas,Turner, Sean C.

supporting information; experimental part, p. 1932 - 1938 (2009/08/07)

A straightforward approach to novel (5-nitropyridin-2-yl)alkyl and (5-nitropyridin-3-yl)alkyl carbamate building blocks is presented in this study. Their construction is achieved by condensation of N-carbamate a- and β-amino carbonyl derivatives with l-methyl-3,5-dinitro-2-pyridone 1 under microwave irradiation. Judiciously chosen modifications in the nature of the parent carbonyl starting material has influenced the regiochemical outcome of the reaction and allowed an efficient access to novel nitrogen-containing scaffolds. Compounds sharing morphological similarities have been gathered in three libraries differing from each other in a single structural parameter.

Catalytic Hydrogenation of Pyrroles at Atmospheric Pressure

Kaiser, Hans-Peter,Muchowski, Joseph M.

, p. 4203 - 4209 (2007/10/02)

N-(tert-Butoxycarbonyl)pyrroles are catalytically hydrogenated to the corresponding pyrrolidines, over 5percent platinum on carbon catalyst, at room temperature and atmospheric pressure.Under these conditions O-benzyl groups are retained and 2,5-disubstit

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