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Methyl 2-amino-3-thiophenecarboxylate

CAS#[4651-81-4]
G-codeGEO-01747
EC number225-084-8
Molecular formulaC6H7NO2S
Molecular weight157.19
Synonyms

methyl 2-amino-3-thenoate ; methyl 2-aminothiophene-3-carboxylate ; 2-Amino-3-carbomethoxythiophene ; 2-Amino-3-methoxycarbonylthiophene ; 2-Amino-3-thiophenecarboxylic acid methylester

Structure of Methyl 2-amino-3-thiophenecarboxylate

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Structural identification

CAS#[4651-81-4]
G-codeGEO-01747
EC number225-084-8
SMILESNC1=C(C(OC)=O)C=CS1
InChIInChI=1S/C6H7NO2S/c1-9-6(8)4-2-3-10-5(4)7/h2-3H,7H2,1H3
InChI KeyInChIKey=DGGJQLCAYQCPDD-UHFFFAOYSA-N
Download structure as .mol

Regulatory Information

Not regulated as a dangerous good.

GHS pictogram
GHS07_harmful
Signal WordWarning
Hazard Statements
H315 - H319 - H335

H315 – Causes skin irritation
H319 – Causes serious eye irritation
H335 – May cause respiratory irritation

Precautionary Statements
P261 - P280 - P302+352 - P305+351+338

P261 – Avoid breathing dust/fume/gas/mist/vapours/spray:
P280 – Wear protective gloves/protective clothing/eye protection/face protection:
P302+352 – IF ON SKIN: Wash with soap and water
P305+351+338 – IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do – continue rinsing

Product categorization

Description

Methyl 2-amino-3-thiophenecarboxylate is a useful chemical compound with a variety of research applications. We are pleased to offer high quality Methyl 2-amino-3-thiophenecarboxylate in various sizes (for research, pilot-scale, or production applications) from milligrams to multi-kilogram batches, making it easy for you to choose the right amount to suit your needs.

Show full description
Methyl 2-amino-3-thiophenecarboxylate [4651-81-4] or 2-amino-3-carbomethoxythiophene or 2-amino-3-thiophenecarboxylic acid methylester is a white solid with the melting point of 72-73 °C.[1]

Preparation of Methyl 2-amino-3-thiophenecarboxylate:

It can be prepared by modifed Gewald reaction[2] using methyl cyanoacetate and 1,4-dithiane-2,5-diol in the presence of triethylamine in methanol. [3]

Application of Methyl 2-amino-3-thiophenecarboxylate:

2-Aminothiophene derivatives are important five-membered building blocks in organic synthesis. Urea derivatives of 2-amino-3-carbomethoxythiophene exhibited promising in vitro cytotoxicity against a human cancer cell lines as an effective binders of ribonucleotidereductase protein.[4] It was used as a building block in synthesis of various thienopyrimidine derivatives which are  interesting structural element in development of pharmaceutical compounds.[5] Among others, these heterocycles have been used as part of kinase inhibitors to regulate dysfunctional cell signalling in cancer cells,[6] as calcium receptor antagonists,[7] transglutaminase inhibitors,[8] as peptidase IV inhibitors[9] and against hepatitis C virus infections.[10]

Product categorization (Chemical groups):

Main category: Second level: Third level: _______________________________________________________________________
[1] S. Bugge, S. J. Kaspersen, E. Sundby, B. H. Hoff Tetrahedron 2012, 68 (45), 9226. doi:10.1016/j.tet.2012.08.090. [2] K. Gewald, E. Schinke, H. Böttcher Chem. Ber. 1966, 99 (1), 94. doi:10.1002/cber.19660990116 [3] J. E. Hempel, A. G. Cadar, C. C. Hong Bioorg. Med. Chem. Lett. 2016, 26 (8), 1947. doi:10.1016/j.bmcl.2016.03.013 [4] V. Vikram, S. R. Renumutchu, R. Vankayala, S. Thangudu, K. Rao, A. Parimi, U. Parimi J. Chem. Sci. 2020, 132, 126. doi:10.1007/s12039-020-01834-w [5][5] V. P. Litvinov Adv. Heterocycl. Chem. 2006, 92, 83. doi:10.1016/S0065-2725(06)92003-0 [6] S. J. Baker, P. J. Goldsmith, T. C. Hancox, N. A. Pegg, S. Price, S. J. Shuttleworth, S. Sohal Pyrimidine derivatives as pi3k inhibitors 2006, F.Hoffmann-La Roche Ag WO2007122410A1. [7] F. Bi, T. Didiuk, A. Guzman-Perez, D. A. Griffith, K. K. C. Liu, D. P. Walker, M. P. Zawistoski Thieno[2,3-d]pyrimidin-4(3h)-one, isoxazolo[5,4-d]pyrimidin-4(5h)-one and isothiazolo[5,4-d]pyrimidin-4(5h)-one derivatives as calcium receptor antagonists 2008, Pfizer Products Inc. WO2009001214A2. [8] R. L. Stein, A. Case, L. A. Yeh, G. Cuny, E. Duval Substitued 3,4-dihydrothieno [2,3-d] pyrmidines as tissue transglutaminase inhibitors 2005, The Brigham And Women's Hospital, Inc. WO2006060702A1. [9] J. Deng, L. Peng, G. Zhang, X. Lan, C. Li, F. Chen, Y. Zhou, Z. Lin, L. Chen, R. Dai, H. Xu, L. Yang, X. Zhang and W. Hu Eur. J. Med. Chem. 2010, 46, 71. [10] C. A. Broka, R. T. Hendricks, H. Maag, D. B. Smith, J. Wanner Heterocyclic antiviral compounds 2011, Roche Palo Alto LLC 20110070190.

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