3-(2-Thienyl)acrylic acid - CAS 1124-65-8
Catalog: |
BB002981 |
Product Name: |
3-(2-Thienyl)acrylic acid |
CAS: |
1124-65-8 |
Synonyms: |
(E)-3-thiophen-2-ylprop-2-enoic acid |
IUPAC Name: | (E)-3-thiophen-2-ylprop-2-enoic acid |
Description: | 3-(2-Thienyl)acrylic acid (CAS# 1124-65-8) is used as a phenylalanine derivative which shows improved intestinal absorption of insulin in mice. In addition it has been used in the synthesis of novel benzothiazepinones as glycogen synthase kinase-3β inhibitors. |
Molecular Weight: | 154.19 |
Molecular Formula: | C7H6O2S |
Canonical SMILES: | C1=CSC(=C1)C=CC(=O)O |
InChI: | InChI=1S/C7H6O2S/c8-7(9)4-3-6-2-1-5-10-6/h1-5H,(H,8,9)/b4-3+ |
InChI Key: | KKMZQOIASVGJQE-ONEGZZNKSA-N |
Boiling Point: | 298.9 °C at 760 mmHg |
Melting Point: | 145-148 °C (lit.) |
Purity: | 95 % |
Density: | 1.346 g/cm3 |
Storage: | Inert atmosphere, Room Temperature |
MDL: | MFCD00005455 |
LogP: | 1.84590 |
GHS Hazard Statement: | H315 (100%): 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 |
US-2020317602-A1 | Myocardial regeneration promoting compounds, preparation method thereof, pharmaceutical composition, and their use | 20190408 |
US-11124472-B2 | Myocardial regeneration promoting compounds, preparation method thereof, and pharmaceutical composition | 20190408 |
CN-109096235-A | 2,2- dimethylebenzopyran analog derivative and its preparation method and application | 20181101 |
WO-2019219016-A1 | Acrylic compound and preparation method therefor and pharmaceutical composition and application thereof | 20180514 |
CN-112204018-A | Acrylic acid compounds, preparation method thereof, pharmaceutical composition and application | 20180514 |
PMID | Publication Date | Title | Journal |
21167710 | 20110501 | Structure-activity relationships of trans-substituted-propenoic acid derivatives on the nicotinic acid receptor HCA2 (GPR109A) | Bioorganic & medicinal chemistry letters |
17806099 | 20071001 | Precursor-directed biosynthesis of stilbene methyl ethers in Escherichia coli | Biotechnology journal |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 154.00885060 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.00885060 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 65.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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