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METHYL 3-AMINOTHIENO[3,2-B]PYRIDINE-2-CARBOXYLATE is a synthetic organic compound characterized by its molecular formula C11H9N3O2S. It features a thienopyridine ring fused with an aminocarbonyl group, which endows it with structural versatility and potential for biological activity. METHYL 3-AMINOTHIENO[3,2-B]PYRIDINE-2-CARBOXYLATE is recognized for its utility as a building block in the synthesis of pharmaceuticals and agrochemicals, making it a valuable asset in medicinal chemistry and drug development.

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  • 111042-90-1 Structure
  • Basic information

    1. Product Name: METHYL 3-AMINOTHIENO[3,2-B]PYRIDINE-2-CARBOXYLATE
    2. Synonyms: METHYL 3-AMINOTHIENO[3,2-B]PYRIDINE-2-CARBOXYLATE;Thieno[3,2-b]pyridine-2-carboxylic acid, 3-amino-, methyl ester (9CI);Methyl 3-aMinothieno[3;Methyl 3-AMino-thieno[3,2-b]pyridin-2-carboxylate;Methyl 3-aMinothieno[3,2-...;3-AMino-thieno[3,2-b]pyridine-2-carboxylic acid Methyl ester
    3. CAS NO:111042-90-1
    4. Molecular Formula: C9H8N2O2S
    5. Molecular Weight: 208.24
    6. EINECS: N/A
    7. Product Categories: AMINOACID;CHIRAL CHEMICALS
    8. Mol File: 111042-90-1.mol
  • Chemical Properties

    1. Melting Point: 122 °C
    2. Boiling Point: 377.553 °C at 760 mmHg
    3. Flash Point: 182.138 °C
    4. Appearance: /
    5. Density: 1.422 g/cm3
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.7
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. PKA: 4.05±0.40(Predicted)
    11. CAS DataBase Reference: METHYL 3-AMINOTHIENO[3,2-B]PYRIDINE-2-CARBOXYLATE(CAS DataBase Reference)
    12. NIST Chemistry Reference: METHYL 3-AMINOTHIENO[3,2-B]PYRIDINE-2-CARBOXYLATE(111042-90-1)
    13. EPA Substance Registry System: METHYL 3-AMINOTHIENO[3,2-B]PYRIDINE-2-CARBOXYLATE(111042-90-1)
  • 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: 111042-90-1(Hazardous Substances Data)

111042-90-1 Usage

Uses

Used in Pharmaceutical Industry:
METHYL 3-AMINOTHIENO[3,2-B]PYRIDINE-2-CARBOXYLATE is used as a key intermediate in the synthesis of various pharmaceutical drugs. Its unique structure allows for the development of new therapeutic agents with potential applications in treating a range of diseases and conditions.
Used in Agrochemical Industry:
In the agrochemical sector, METHYL 3-AMINOTHIENO[3,2-B]PYRIDINE-2-CARBOXYLATE serves as a precursor for the creation of novel agrochemicals. Its incorporation into these products can lead to advancements in crop protection and management strategies.
Used in Medicinal Chemistry Research:
METHYL 3-AMINOTHIENO[3,2-B]PYRIDINE-2-CARBOXYLATE is utilized as a research compound in medicinal chemistry. Its structural attributes make it a promising candidate for exploring new drug targets and mechanisms of action, contributing to the discovery of innovative therapeutics.
Used as a Reagent in Organic Chemistry:
Beyond its applications in synthesis, METHYL 3-AMINOTHIENO[3,2-B]PYRIDINE-2-CARBOXYLATE also functions as a reagent in various organic chemical reactions. Its participation in these processes can facilitate the creation of other functionalized heterocycles, expanding the scope of organic chemistry and its applications.
Used in the Synthesis of Functionalized Heterocycles:
METHYL 3-AMINOTHIENO[3,2-B]PYRIDINE-2-CARBOXYLATE is employed as a precursor in the synthesis of functionalized heterocycles. These heterocycles are important in the development of complex organic molecules with specific properties and potential uses in various industries, including pharmaceuticals, materials science, and more.

Check Digit Verification of cas no

The CAS Registry Mumber 111042-90-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,1,0,4 and 2 respectively; the second part has 2 digits, 9 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 111042-90:
(8*1)+(7*1)+(6*1)+(5*0)+(4*4)+(3*2)+(2*9)+(1*0)=61
61 % 10 = 1
So 111042-90-1 is a valid CAS Registry Number.
InChI:InChI=1/C9H8N2O2S/c1-13-9(12)8-6(10)7-5(14-8)3-2-4-11-7/h2-4H,10H2,1H3

111042-90-1SDS

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 Methyl 3-aminothieno[3,2-b]pyridine-2-carboxylate

1.2 Other means of identification

Product number -
Other names METHYL 3-AMINOTHIENO[3,2-B]PYRIDINE-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:111042-90-1 SDS

111042-90-1Related news

New 1,3-diarylureas linked by CC Suzuki coupling to the methyl 3-aminothieno[3,2-b]pyridine-2-carboxylate moiety: Synthesis and fluorescence studies in solution and in lipid membranes08/22/2019

New six fluorescent 1,3-diarylureas linked by CC Suzuki coupling to the 6-position of the methyl 3-aminothieno[3,2-b]pyridine-2-carboxylate moiety were prepared by reaction of the amino groups on the ortho or meta positions relative to the CC bond of the Suzuki coupling products, with different ...detailed

111042-90-1Relevant articles and documents

First metal-free synthesis of tetracyclic pyrido and pyrazino thienopyrimidinone molecules

Aounzou, Mohammed,Campos, Joana F,Loubidi, Mohammed,Berteina-Raboin, Sabine

, (2018)

We report herein a new metal free synthetic pathway to generate tetracyclic compounds from 3-aminothieno[3,2-b]pyridine-2-carboxylate. To enlarge the molecular diversity, we studied the Suzuki coupling of 9-chloro-6H-pyrido[1,2-a]pyrido[2,3:4,5]thieno[3,2-d]pyrimidin-6-one and several boronic acids were easily introduced.

SULFONAMIDES AS TRPM8 MODULATORS

-

Page/Page column 89, (2012/07/31)

Disclosed are compounds, compositions and methods for treating various diseases, syndromes, conditions and disorders, including pain. Such compounds are represented by Formula I as follows: wherein A, B, G, Y, R1, R2, R3, and R4 are defined herein.

CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR

-

Page/Page column 13, (2012/10/08)

Provided are certain triazolopyridines and triazolopyrazines, compositions thereof and methods of use therefor.

CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR

-

Page/Page column 25, (2011/07/30)

Provided are certain triazolopyridines and triazolopyrazines, compositions thereof and methods of use therefor.

Synthesis of new thieno[3,2-b]pyridine derivatives by palladium-catalyzed couplings and intramolecular cyclizations

Calhelha, Ricardo C.,Queiroz, Maria-Jo?o R.P.

experimental part, p. 281 - 283 (2010/03/26)

Two methyl 3-aminothieno[3,2-b]pyridine-2-carboxylates were prepared from 3-fluoro or 3-nitropicolinonitriles and methyl thioglycolate in DMF/KOH(aq). From the unsubstituted precursor in the pyridine ring, di(hetero)arylamines were obtained by C-N Buchwald-Hartwig coupling with bromonitrobenzenes and with 2-bromopyridine. In the latter case a tetracyclic compound was formed by intramolecular cyclization. Using a brominated derivative in the pyridine ring as a coupling component, it was possible to synthesize C-C (Suzuki and Sonogashira) and C-N (Buchwald-Hartwig) coupling products and a tetracyclic compound obtained by bifunctionalization of the thienopyridine system.

SULFONAMIDES AS TRPM8 MODULATORS

-

Page/Page column 215-216, (2009/03/07)

ABSTRACT Disclosed are compounds, compositions and methods for treating various diseases, syndromes, conditions and disorders, including pain. Such compounds are represented by Formula (I) as follows: wherein A, B, G, Y, R1, R2, R3 and R4 are defined herein

Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease

-

, (2008/06/13)

The invention provides compounds of Formula I: wherein Azabicyclo is These compounds may be in the form of pharmaceutical salts or compositions, racemic mixtures, or pure enantiomers thereof. The compounds of Formula I are useful in pharmaceuticals in which α7 is known to be involved.

Quinuclidines-substituted-multi-cyclic-heteroaryls for the treatment of disease

-

, (2008/06/13)

The invention provides compounds of Formula I: 1where in W is 2These compounds may be in the form of pharmaceutical salts or compositions, racemic mixtures, or pure enantiomers thereof. The compounds of Formula I are useful to treat diseases or conditions in which α7 is known to be involved.

Nucleophilic Displacements in Pyridine Rings

Dunn, A. D.,Norrie, R.

, p. 85 - 89 (2007/10/02)

The reactions of halopyridines containing an electron withdrawing group (-CN, -CO2R, -COMe, -NO2) with sulphur nucleophiles is reported.

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