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(S)-TERT-BUTYL 2,2-DIMETHYL-4-(2-OXOETHYL)OXAZOLIDINE-3-CARBOXYLATE is a chemical compound that belongs to the class of oxazolidine carboxylates. It is a stable and versatile molecule that is commonly used for various applications in organic synthesis. Known for its ability to act as a chiral building block, it is useful in the synthesis of complex organic molecules and pharmaceutical products. It also finds use in the production of agrochemicals, dyes, and other specialty chemicals, and has potential applications in materials science, including as a precursor for the synthesis of polymers and advanced materials.

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  • (S)-tert-Butyl 2,2-dimethyl-4-(2-oxoethyl)oxazolidine-3-carboxylate

    Cas No: 147959-19-1

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  • 147959-19-1 Structure
  • Basic information

    1. Product Name: (S)-TERT-BUTYL 2,2-DIMETHYL-4-(2-OXOETHYL)OXAZOLIDINE-3-CARBOXYLATE
    2. Synonyms: (S)-TERT-BUTYL 2,2-DIMETHYL-4-(2-OXOETHYL)OXAZOLIDINE-3-CARBOXYLATE;tert-butyl (4S)-2,2-diMethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate;Tert-butyl 2,2-dimethyl-4-(2-oxoethyl)oxazolidine-3-carboxylate;(4S)-2,2-Dimethyl-4-(2-Oxoethyl)-3-Oxazolidinecarboxylic Acid 1,1-Dimethylethyl Ester;(4S)-2,2-dimethyl-4-(2-oxoethyl)-oxazolidine-3-carboxylic acid tert-butyl ester;3-tert-butoxycarbonylamino-2,3-dideoxy-3,4-N,O-isopropylidene-aldehydo-D-glycero-tetrose
    3. CAS NO:147959-19-1
    4. Molecular Formula: C12H21NO4
    5. Molecular Weight: 243.3
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 147959-19-1.mol
  • Chemical Properties

    1. Melting Point: <40 °C
    2. Boiling Point: 324.1±27.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.051±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: -2.22±0.60(Predicted)
    10. CAS DataBase Reference: (S)-TERT-BUTYL 2,2-DIMETHYL-4-(2-OXOETHYL)OXAZOLIDINE-3-CARBOXYLATE(CAS DataBase Reference)
    11. NIST Chemistry Reference: (S)-TERT-BUTYL 2,2-DIMETHYL-4-(2-OXOETHYL)OXAZOLIDINE-3-CARBOXYLATE(147959-19-1)
    12. EPA Substance Registry System: (S)-TERT-BUTYL 2,2-DIMETHYL-4-(2-OXOETHYL)OXAZOLIDINE-3-CARBOXYLATE(147959-19-1)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 147959-19-1(Hazardous Substances Data)

147959-19-1 Usage

Uses

Used in Pharmaceutical Industry:
(S)-TERT-BUTYL 2,2-DIMETHYL-4-(2-OXOETHYL)OXAZOLIDINE-3-CARBOXYLATE is used as a chiral building block for the synthesis of complex organic molecules and pharmaceutical products, contributing to the development of new drugs and therapeutic agents.
Used in Agrochemical Industry:
(S)-TERT-BUTYL 2,2-DIMETHYL-4-(2-OXOETHYL)OXAZOLIDINE-3-CARBOXYLATE is used in the production of agrochemicals, where its chiral properties can be leveraged to create effective and targeted pest control solutions.
Used in Dye Industry:
(S)-TERT-BUTYL 2,2-DIMETHYL-4-(2-OXOETHYL)OXAZOLIDINE-3-CARBOXYLATE is used in the synthesis of dyes, where its unique structural features can enhance color properties and performance in various applications.
Used in Specialty Chemicals Production:
(S)-TERT-BUTYL 2,2-DIMETHYL-4-(2-OXOETHYL)OXAZOLIDINE-3-CARBOXYLATE is used as a precursor in the production of specialty chemicals, where its versatility allows for the creation of a wide range of high-value products.
Used in Materials Science:
(S)-TERT-BUTYL 2,2-DIMETHYL-4-(2-OXOETHYL)OXAZOLIDINE-3-CARBOXYLATE is used as a precursor for the synthesis of polymers and advanced materials, where its properties can be utilized to develop innovative materials with unique characteristics for various applications.

Check Digit Verification of cas no

The CAS Registry Mumber 147959-19-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,4,7,9,5 and 9 respectively; the second part has 2 digits, 1 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 147959-19:
(8*1)+(7*4)+(6*7)+(5*9)+(4*5)+(3*9)+(2*1)+(1*9)=181
181 % 10 = 1
So 147959-19-1 is a valid CAS Registry Number.

147959-19-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name (S)-tert-Butyl 2,2-dimethyl-4-(2-oxoethyl)oxazolidine-3-carboxylate

1.2 Other means of identification

Product number -
Other names tert-butyl (4S)-2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-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:147959-19-1 SDS

147959-19-1Relevant articles and documents

Synthesis of sphingosine analogues: Stereoselective synthesis of 3- deoxysphingosine and cis-isomers

Kawate, Tomohiko,Fukuta, Natsuko,Nishida, Atsushi,Nakagawa, Masako

, p. 2116 - 2118 (1997)

Both enantiomers of 3-deoxysphingosine as well as their cis-isomers were synthesized stereoselectively from L- and D-serine.

Bifunctional Tripeptide with a Phosphonic Acid as a Br?nsted Acid for Michael Addition: Mechanistic Insights

Cortes-Clerget, Margery,Jover, Jesús,Dussart, Jade,Kolodziej, Emilie,Monteil, Maelle,Migianu-Griffoni, Evelyne,Gager, Olivier,Deschamp, Julia,Lecouvey, Marc

supporting information, p. 6654 - 6662 (2017/05/15)

Enamine catalysis is a widespread activation mode in the field of organocatalysis and is often encountered in bifunctional organocatalysts. We previously described H-Pro-Pro-pAla-OMe as a bifunctional catalyst for Michael addition between aldehydes and ar

NOVEL QUINOLINE-SUBSTITUTED COMPOUND

-

Paragraph 0602-0604, (2016/10/10)

An object to be achieved by the present invention is to provide a novel compound having EGFR inhibitory effects and cell growth inhibitory effects, as well as a medication useful for the prevention and/or treatment of cancer based on the EGFR inhibitory effects. The present invention provides a compound represented by Formula (I) below, or a salt thereof.

Expeditious synthesis of enantiopure, orthogonally protected bis-α-amino acids (OPBAAs) and their use in a study of Nod1 stimulation

Chen, Po-Ting,Lin, Cheng-Kun,Tsai, Chih-Ju,Huang, Duen-Yi,Nien, Fu-Yao,Lin, Wan-Wan,Cheng, Wei-Chieh

, p. 474 - 482 (2015/01/30)

A convenient approach towards the synthesis of orthogonally protected chiral bis-a-amino acids (OPBAAs) is described. The key transformations include: (1) a highly stereoselective conjugation (alkylation) of the Sch?llkopf bislactim ethers and oxazolidinyl alkyl halides to build a backbone skeleton; and (2) our orthogonal protection strategy. A series of enantiopure OPBAAs bearing a variety of alkyl chain as a spacer; two stereogenic centers; and three protecting groups were prepared as examples. These versatile molecules were applied to the synthesis of biologically interesting di- or tri-peptide analogues, including chiral iE-meso-DAP and A-iE-meso-DAP, for the study of Nod1 activation in the innate immune response.

FACTOR XIa INHIBITORS

-

Page/Page column 71, (2015/12/09)

The present invention provides a compound of Formula (I) and pharmaceutical compositions comprising one or more said compounds, and methods for using said compounds for treating or preventing thromboses, embolisms, hypercoagulability or fibrotic changes. The compounds are selective Factor XIa inhibitors or dual inhibitors of Factor XIa and plasma kallikrein.

Chemo-enzymatic synthesis of the azasugars 1,4-dideoxyallonojirimycin and 1,4-dideoxymannojirimycin

Venkataiah, Mallam,Reddipalli, Gowrisankar,Jasti, Lakshmi Swarnalatha,Fadnavis, Nitin W.

, p. 1855 - 1860 (2012/01/13)

The enzymatic resolution of the N-phenylacetyl derivative of racemic homoserine lactone with penicillin G acylase immobilized on Eupergit C gave (R)-(+)-α-amino-γ-butyrolactone and (S)-(-)-α-N- phenylacetamido-γ-butyrolactone in high enantiomeric purity (ee >99%) and 46-47% yields for each enantiomer. The enantiomers were converted into azasugars 1,4-dideoxyallonojirimycin and 1,4-dideoxymannojirimycin using Wittig olefination, catalytic ring-closing metathesis (RCM), and stereoselective dihydroxylation with OsO4 in 29% overall yield over 11 high yielding steps. Enzyme inhibition studies showed that 1,4-dideoxyallonojirimycin is a better β-glucosidase inhibitor (IC50 32.4 μM toward β-glucosidase from almonds) and a better β-galactosidase inhibitor (IC50 5.9 mM for β-galactosidase from Aspergillus oryzae) than 1,4-dideoxymannojirimycin (IC50 2.86 mM and 12.5 mM for β-glucosidase and β-galactosidase, respectively).

An asymmetric dihydroxylation route to (-)-bulgecinine

Show, Krishanu,Upadhyay, Puspesh K.,Kumar, Pradeep

experimental part, p. 1234 - 1238 (2011/10/19)

The stereoselective synthesis of (-)-bulgecinine is reported from L-aspartic acid using Sharpless asymmetric dihydroxylation and intramolecular cyclization via nucleophilic displacement of a-tosylate as key steps.

PYRROLIDINONE GLUCOKINASE ACTIVATORS

-

Page/Page column 73, (2009/10/30)

Provided herein are compounds of the formula (I): as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of metabolic diseases and disorders such as, for example, type II diabetes mellitus.

Efficient entry to polysubstituted pyrrolizidines, indolizidines and quinolizidines via a sequential reaction process

Ma, Dawei,Zhu, Wei

, p. 1181 - 1184 (2007/10/03)

A sequential SN2-Michael addition-Michael addition reaction process between ω-iodo-α,β-alkynoates and δ- or γ-amino α,β-unsaturated esters is developed, which affords polysubstituted pyrrolizidines, indolizidines or quinolizidines in good yield

IMPROVED PROCEDURE FOR THE PREPARATION OF (4S)- OR (4R)-2,2-DIMETHYL-4-(2-HYDROXETHYL)OXAZOLIDINE-3-CARBOXYLIC ACID ALKYL ESTERS

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Page/Page column 8; 16, (2010/11/23)

The present invention is directed to a process for the preparation of (4S)- or (4R)-2,2-dimethyl-4-(2-hydroxethyl)oxazolidine-3-carboxylic acid alkyl esters. The invention is further directed to an intermediate product from which those alkyl esters may be obtained.

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