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1-(TERT-BUTYL) 2-METHYL 1,2-INDOLINEDICARBOXYLATE is a chemical compound with the molecular formula C16H19NO4. It is a derivative of indoline, a heterocyclic compound that features a benzene ring fused to a pyrrole ring. 1-(TERT-BUTYL) 2-METHYL 1,2-INDOLINEDICARBOXYLATE is recognized for its potential applications in various fields, including medicine, materials science, and chemistry, due to its unique structure and properties.

186704-03-0

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186704-03-0 Usage

Uses

Used in Pharmaceutical Industry:
1-(TERT-BUTYL) 2-METHYL 1,2-INDOLINEDICARBOXYLATE is used as a precursor in the synthesis of various drugs and pharmaceutical intermediates, playing a crucial role in the development of new medications.
Used as an Antioxidant and Anti-Inflammatory Agent:
In the realm of medicine, 1-(TERT-BUTYL) 2-METHYL 1,2-INDOLINEDICARBOXYLATE has been studied for its potential as an antioxidant, which can help in combating oxidative stress and related diseases. Additionally, it has shown promise as an anti-inflammatory agent, which can be beneficial in treating conditions characterized by inflammation.
Used in Materials Science:
1-(TERT-BUTYL) 2-METHYL 1,2-INDOLINEDICARBOXYLATE has demonstrated potential as a building block for the synthesis of organic materials with electro-optical and photoconductive properties. This makes it a valuable component in the development of advanced materials for various applications, such as sensors, displays, and other optoelectronic devices.
Overall, 1-(TERT-BUTYL) 2-METHYL 1,2-INDOLINEDICARBOXYLATE is a versatile chemical with a wide range of potential applications across different industries, highlighting its importance in modern scientific research and development.

Check Digit Verification of cas no

The CAS Registry Mumber 186704-03-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,8,6,7,0 and 4 respectively; the second part has 2 digits, 0 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 186704-03:
(8*1)+(7*8)+(6*6)+(5*7)+(4*0)+(3*4)+(2*0)+(1*3)=150
150 % 10 = 0
So 186704-03-0 is a valid CAS Registry Number.
InChI:InChI=1/C15H19NO4/c1-15(2,3)20-14(18)16-11-8-6-5-7-10(11)9-12(16)13(17)19-4/h5-8,12H,9H2,1-4H3

186704-03-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(TERT-BUTYL) 2-METHYL 1,2-INDOLINEDICARBOXYLATE

1.2 Other means of identification

Product number -
Other names 1-TERT-BUTYL-2-METHYLINDOLINE-1,2-DICARBOXYLATE

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:186704-03-0 SDS

186704-03-0Relevant academic research and scientific papers

Electrochemical Dearomative Dicarboxylation of Heterocycles with Highly Negative Reduction Potentials

Hayashi, Hiroki,Kanna, Wataru,Maeda, Satoshi,Mita, Tsuyoshi,Takano, Hideaki,You, Yong

supporting information, p. 3685 - 3695 (2022/03/08)

The dearomative dicarboxylation of stable heteroaromatics using CO2is highly challenging but represents a very powerful method for producing synthetically useful dicarboxylic acids, which can potentially be employed as intermediates of biologically active molecules such as natural products and drug leads. However, these types of transformations are still underdeveloped, and concise methodologies with high efficiency (e.g., high yield and high selectivity for dicarboxylations) have not been reported. We herein describe a new electrochemical protocol using the CO2radical anion (E1/2of CO2= -2.2 V in DMF and -2.3 V in CH3CN vs SCE) that produces unprecedented trans-oriented 2,3-dicarboxylic acids from N-Ac-, Boc-, and Ph-protected indoles that exhibit highly negative reduction potentials (-2.50 to -2.94 V). On the basis of the calculated reduction potentials, N-protected indoles with reduction potentials up to -3 V smoothly undergo the desired dicarboxylation. Other heteroaromatics, including benzofuran, benzothiophene, electron-deficient furans, thiophenes, 1,3-diphenylisobenzofuran, and N-Boc-pyrazole, also exhibit reduction potentials more positive than -3 V and served as effective substrates for such dicarboxylations. The dicarboxylated products thus obtained can be derivatized into useful synthetic intermediates for biologically active compounds in few steps. We also show how the dearomative monocarboxylation can be achieved selectively by choice of the electrolyte, solvent, and protic additive; this strategy was then applied to the synthesis of an octahydroindole-2-carboxylic acid (Oic) derivative, which is a useful proline analogue.

Formal Fluorinative Ring Opening of 2-Benzoylpyrrolidines Utilizing [1,2]-Phospha-Brook Rearrangement for Synthesis of 2-Aryl-3-fluoropiperidines

Kondoh, Azusa,Ojima, Rihaku,Terada, Masahiro

supporting information, p. 7894 - 7899 (2021/10/20)

A ring expansion of 2-benzoylpyrrolidines, which involves the formal fluorinative ring opening utilizing the [1,2]-phospha-Brook rearrangement under Br?nsted base catalysis and a subsequent intramolecular reductive amination, was developed. The operationally simple three-step protocol provides an efficient access to 2-aryl-3-fluoropiperidines. The methodology was further applied to the syntheses of azepanes and tetrahydroquinolines.

Hexafluoroisopropanol: A powerful solvent for the hydrogenation of indole derivatives. Selective access to tetrahydroindoles or cis-fused octahydroindoles

Clarisse, Damien,Fenet, Bernard,Fache, Fabienne

experimental part, p. 6587 - 6594 (2012/09/08)

Pd/C in HFIP was used to hydrogenate indole derivatives under relatively mild conditions, leading to potential synthetic intermediates of bioactive compounds. Depending on their substitution, tetrahydroindoles or octahydroindoles could selectively be obtained.

Orthogonal synthesis of indolines and isoquinolines via aryne annulation

Gilmore, Christopher D.,Allan, Kevin M.,Stoltz, Brian M.

, p. 1558 - 1559 (2008/09/17)

Described in this report is the development of two unique methodologies exploiting the reactivity of arynes. Reaction of N-carbamoyl-functionalized enamine derivatives with benzyne affords substituted indolines. An orthogonal reactivity is uncovered when related enamine derivatives are modified as amides, such that isoquinolines are formed as the product of condensation with benzyne. This latter transformation is applied to a concise total synthesis of the opiate alkaloid papaverine. Copyright

Palladium-catalyzed reduction of N-(tert-Butoxycarbonyl)indoles by polymethylhydrosiloxane

Chandrasekhar, Srivari,Basu, Debjit,Reddy, Ch. Raji

, p. 1509 - 1512 (2008/02/05)

The palladium-catalyzed [10% Pd(OH)2/C] reduction of N-(tert-butoxycarbonyl)indoles to the corresponding N-(tert-butoxycarbonyl) indolines is described. Polymethylhydrosiloxane was used as reducing agent and the reaction proceeded smoothly at r

Both enantiomers of N-Boc-indoline-2-carboxylic esters

Kurokawa, Masayuki,Sugai, Takeshi

, p. 1021 - 1025 (2007/10/03)

An immobilized form of Candida antarctica lipase (Chirazyme L-2) catalyzed enantioselective hydrolysis (E > 1000) of N-Boc-indoline-2-carboxylic acid methyl ester. The reaction proceeded efficiently at 60 °C, a temperature over the melting point of substrate, in the conversion of 49.9% to provide the hydrolyzed product, (S)-carboxylic acid with >99.9% ee and the unreacted (R)-ester with 99.6% ee. A newly developed expeditious route to the racemic substrate (a total of six steps, 60% yield), starting from aniline and ethyl α-methylacetoacetate, established the scalable chemoenzymatic synthesis of the desired compounds in both enantiomerically pure forms.

Hydrogenation of five-membered heteroaromatic compounds catalyzed by a rhodium-phosphine complex

Kuwano, Ryoichi,Sato, Koji,Ito, Yoshihiko

, p. 428 - 429 (2007/10/03)

The rhodium complex generated in situ from Rh(acac)(cod) and 2 equivalents of triphenylphosphine is an effective catalyst for hydrogenation of various five-membered heteroaromatic compounds.

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