1-Benzofuran-5-carbaldehyde - CAS 10035-16-2
Catalog: |
BB000185 |
Product Name: |
1-Benzofuran-5-carbaldehyde |
CAS: |
10035-16-2 |
Synonyms: |
5-benzofurancarboxaldehyde; 1-benzofuran-5-carbaldehyde |
IUPAC Name: | 1-benzofuran-5-carbaldehyde |
Description: | 1-Benzofuran-5-carbaldehyde (CAS# 10035-16-2) is a building block used as a reactant in the synthetic preparation of benzofuranyl oxadiazoles as inhibitors of glycogen synthase kinase-3β with good brain permeability. It is also used in the synthesis of pyrroloquinolone PDE5 inhibitors used for clinical studies on erectile dysfunction. |
Molecular Weight: | 146.14 |
Molecular Formula: | C9H6O2 |
Canonical SMILES: | C1=CC2=C(C=CO2)C=C1C=O |
InChI: | InChI=1S/C9H6O2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-6H |
InChI Key: | LLLBDLDNTMMZHL-UHFFFAOYSA-N |
Boiling Point: | 70-74 °C 0.15 mmHg |
Density: | 1.238 g/cm3 |
Appearance: | Colorless to light yellow liquid |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 2.24530 |
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 |
CN-113214105-A | 150-cavity targeted oseltamivir derivative and preparation method and application thereof | 20210506 |
CN-111606823-A | Method for converting aromatic aldehyde into aromatic nitrile by using inorganic ammonium as nitrogen source and promoted by sulfur powder | 20200624 |
CN-111518166-A | Peptide-like compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof | 20200520 |
CN-112574176-A | Heteroaryl compound and application thereof | 20190927 |
WO-2021057696-A1 | Heteroaryl compound and application thereof | 20190927 |
PMID | Publication Date | Title | Journal |
19345581 | 20090501 | Synthesis of potent antitumor and antiviral benzofuran derivatives | Bioorganic & medicinal chemistry letters |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 146.036779430 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.036779430 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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