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Methyl 5-Methyl-1H-pyrrole-2-carboxylate, also known as 5-Methyl-2-(methoxycarbonyl)pyrrole, is an organic compound that has been identified in the smoke condensate of 70mm nonfiltered cigarettes. It is a derivative of pyrrole, a heterocyclic aromatic organic compound that contains a nitrogen atom in the ring structure. The presence of a methyl group and a methoxycarbonyl group in its structure gives it unique chemical properties and potential applications.

1194-97-4

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1194-97-4 Usage

Uses

Used in Chemical Research:
Methyl 5-Methyl-1H-pyrrole-2-carboxylate is used as a chemical intermediate in the synthesis of various organic compounds and pharmaceuticals. Its unique structure allows it to be a versatile building block for the development of new molecules with potential applications in various industries.
Used in Environmental Analysis:
Methyl 5-Methyl-1H-pyrrole-2-carboxylate is used as a marker compound in the analysis of cigarette smoke and its potential health effects. Its presence in the smoke condensate of nonfiltered cigarettes provides valuable information on the chemical composition of tobacco smoke and contributes to the understanding of the harmful effects of smoking.
Used in Toxicology Studies:
Methyl 5-Methyl-1H-pyrrole-2-carboxylate is used as a subject in toxicological studies to evaluate its potential toxicity and effects on human health. Understanding the toxicity of Methyl 5-Methyl-1H-pyrrole-2-carboxylate can help in assessing the overall risk associated with exposure to cigarette smoke and its constituents.
Used in Pharmaceutical Development:
Methyl 5-Methyl-1H-pyrrole-2-carboxylate is used as a starting material in the development of new pharmaceuticals. Its unique chemical properties and potential biological activity make it a promising candidate for the discovery of new drugs with therapeutic applications.
Used in Agrochemical Industry:
Methyl 5-Methyl-1H-pyrrole-2-carboxylate is used as a precursor in the synthesis of agrochemicals, such as pesticides and herbicides. Its potential use in this industry can contribute to the development of more effective and environmentally friendly products for agricultural applications.

Check Digit Verification of cas no

The CAS Registry Mumber 1194-97-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,1,9 and 4 respectively; the second part has 2 digits, 9 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 1194-97:
(6*1)+(5*1)+(4*9)+(3*4)+(2*9)+(1*7)=84
84 % 10 = 4
So 1194-97-4 is a valid CAS Registry Number.
InChI:InChI=1/C7H9NO2/c1-5-3-4-6(8-5)7(9)10-2/h3-4,8H,1-2H3

1194-97-4SDS

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 Methyl 5-methyl-1H-pyrrole-2-carboxylate

1.2 Other means of identification

Product number -
Other names methyl 5-methyl-1H-pyrrole-2-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:1194-97-4 SDS

1194-97-4Relevant academic research and scientific papers

PYRROLE mTORC INHIBITORS AND USES THEREOF

-

, (2020/01/12)

The present invention provides compounds, compositions thereof, and methods of using the same.

PYRROLE mTORC INHIBITORS AND USES THEREOF

-

, (2018/05/27)

The present invention provides compounds, compositions thereof, and methods of using the same.

Inexpensive Radical Methylation and Related Alkylations of Heteroarenes

Huang, Qi,Zard, Samir Z.

supporting information, p. 1413 - 1416 (2018/03/09)

A simple method for the introduction of a methyl and higher aliphatic group to various heteroarenes using very inexpensive reagents is described. It is based on the radical addition of a carboxylic xanthate followed by decarboxylation. Depending on the heteroarene structure, the decarboxylation can be spontaneous or induced by heating in N,N-dimethylacetamide or N-methyl pyrrolidone in a microwave oven.

Catalyst-controlled regiodivergent C-H borylation of multifunctionalized heteroarenes by using iridium complexes

Sasaki, Ikuo,Taguchi, Jumpei,Hiraki, Shotaro,Ito, Hajime,Ishiyama, Tatsuo

supporting information, p. 9236 - 9241 (2015/06/16)

The regiodivergent C-H borylation of 2,5-disubstituted heteroarenes with bis(pinacolato)diboron was achieved by using iridium catalysts formed in situ from [Ir(OMe)(cod)]2/dtbpy (cod=1,5-cyclooctadiene, dtbpy: 4,4′-di-tert-butyl-2,2′-bipyridine) or [Ir(OMe)(cod)]2/2 AsPh3. When [Ir(OMe)(cod)]2/dtbpy was used as the catalyst, borylation at the 4-position proceeded selectively to afford 4-borylated products in high yields (dtbpy system A). The regioselectivity changed when the [Ir(OMe)(cod)]2/2 AsPh3 catalyst was used; 3-borylated products were obtained in high yields with high regioselectivity (AsPh3 system B). The regioselectivity of borylation was easily controlled by changing the ligands. This reaction was used in the syntheses of two different bioactive compound analogues by using the same starting material. Minor adjustments, major differences: The regiodivergent C-H borylation of 2,5-disubstituted heteroarenes with bis(pinacolato)diboron was achieved by using iridium catalysts formed in situ from [Ir(OMe)(cod)]2/dtbpy (cod=1,5-cyclooctadiene, dtbpy: 4,4'-di-tert-butyl-2,2'-bipyridine) or [Ir(OMe)(cod)]2/2 AsPh3 (see scheme).

Visible-light sensitization of vinyl azides by transition-metal photocatalysis

Farney, Elliot P.,Yoon, Tehshik P.

, p. 793 - 797 (2014/01/23)

Irradiation of vinyl and aryl azides with visible light in the presence of Ru photocatalysts results in the formation of reactive nitrenes, which can undergo a variety of C-N bond-forming reactions. The ability to use low-energy visible light instead of UV in the photochemical activation of azides avoids competitive photodecomposition processes that have long been a significant limitation on the synthetic use of these reactions. Rock and pyrrole: Irradiation of vinyl and aryl azides with visible light in the presence of Ru photocatalysts results in the formation of reactive nitrenes, which can undergo a variety of C-N bond-forming reactions. The ability to use low-energy visible light instead of UV in the photochemical activation of azides (see picture) avoids competitive photodecomposition processes. Copyright

Transition metal-catalyzed synthesis of pyrroles from dienyl azides

Dong, Huijun,Shen, Meihua,Redford, Joanne E.,Stokes, Benjamin J.,Pumphrey, Ashley L.,Driver, Tom G.

, p. 5191 - 5194 (2008/09/17)

(Chemical Equation Presented) A range of 2,5-disubstituted and 2,4,5-trisubstituted pyrroles can be synthesized from dienyl azides at room temperature using catalytic amounts of Znl2 or Rh2(O 2CC3F7)4.

Synthesis of dihydropyrroles and tetrahydropyridines by the cyclization of O-methylsulfonyloximes having an active methine group

Yoshida, Masayuki,Uchiyama, Katsuya,Narasaka, Koichi

, p. 681 - 691 (2007/10/03)

3,4-Dihydro-2H-pyrroles and 2,3,4,5-tetrahydropyridines are prepared by treatment of (E)-O-methylsulfonyloximes having an active methine group at γ- or δ-position with 1,8-diazabicyclo[5.4.0]undec-7-ene via SN2-type substitution on sp2 nitrogen atom of the oxime derivatives.

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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