Methyl 3-amino-2-thiophenecarboxylate - CAS 22288-78-4
Catalog: |
BB017511 |
Product Name: |
Methyl 3-amino-2-thiophenecarboxylate |
CAS: |
22288-78-4 |
Synonyms: |
methyl 3-aminothiophene-2-carboxylate |
IUPAC Name: | methyl 3-aminothiophene-2-carboxylate |
Description: | Methyl 3-amino-2-thiophenecarboxylate (CAS# 22288-78-4) is a useful synthetic intermediate. It can be used to synthesize (amino)thienopyridine derivatives as possible inhibitors of VEGFR-2 kinase and EGFR kinase. It can also be used to prepare (carboxyheteroarylamino)oxalic acids as inhibitors of protein-tyrosine phosphatase 1B. |
Molecular Weight: | 157.19 |
Molecular Formula: | C6H7NO2S |
Canonical SMILES: | COC(=O)C1=C(C=CS1)N |
InChI: | InChI=1S/C6H7NO2S/c1-9-6(8)5-4(7)2-3-10-5/h2-3H,7H2,1H3 |
InChI Key: | TWEQNZZOOFKOER-UHFFFAOYSA-N |
Boiling Point: | 100-102 °C (0.1 mmHg) |
Melting Point: | 64-66 °C |
Purity: | 98 % |
Density: | 1.319 g/cm3 |
Appearance: | White to light yellow crystal powder |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00009765 |
LogP: | 1.69810 |
GHS Hazard Statement: | H315 (96.15%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111848641-A | 4-phenoxy thiophene [3,2-d ] pyrimido alpha-acylamino thioamide compound and preparation method and application thereof | 20200714 |
CN-111763218-B | Thienopyrimidinone thioglycolic acid derivative and preparation method and application thereof | 20200714 |
JP-2021130079-A | Liquid fixed quantity discharge device | 20200218 |
CN-113248399-A | O-amino aromatic amide derivative and preparation method and application thereof | 20200213 |
CN-111057065-A | Preparation method and application of thienopyrimidine compound | 20191224 |
PMID | Publication Date | Title | Journal |
20151671 | 20100311 | Small molecule inhibitors of the neuropilin-1 vascular endothelial growth factor A (VEGF-A) interaction | Journal of medicinal chemistry |
16451052 | 20060209 | Synthesis of thieno[2,3-b]pyridinones acting as cytoprotectants and as inhibitors of [3H]glycine binding to the N-methyl-D-aspartate (NMDA) receptor | Journal of medicinal chemistry |
15962942 | 20050601 | Prediction of genotoxicity of chemical compounds by statistical learning methods | Chemical research in toxicology |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.01974964 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.01974964 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 80.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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