4-(4-Formyl-3-methoxyphenoxy)butyric Acid - CAS 309964-23-6
Catalog: |
BB020780 |
Product Name: |
4-(4-Formyl-3-methoxyphenoxy)butyric Acid |
CAS: |
309964-23-6 |
Synonyms: |
4-(4-formyl-3-methoxyphenoxy)butanoic acid; 4-(4-formyl-3-methoxyphenoxy)butanoic acid |
IUPAC Name: | 4-(4-formyl-3-methoxyphenoxy)butanoic acid |
Description: | Used in the preparation of amino(benzoyl)2-furylthiazoles and related compounds as adenosine A2A receptor antagonists via either a multistep procedure or a solid phase combinatorial preparation. |
Molecular Weight: | 238.24 |
Molecular Formula: | C12H14O5 |
Canonical SMILES: | COC1=C(C=CC(=C1)OCCCC(=O)O)C=O |
InChI: | InChI=1S/C12H14O5/c1-16-11-7-10(5-4-9(11)8-13)17-6-2-3-12(14)15/h4-5,7-8H,2-3,6H2,1H3,(H,14,15) |
InChI Key: | RHQAFYIBBWZTOI-UHFFFAOYSA-N |
Boiling Point: | 461.5 °C at 760 mmHg |
Density: | 1.232 g/cm3 |
LogP: | 1.75130 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2017052394-A1 | Imidazopyridine compounds and their use as 5-ht6 receptor ligands | 20150923 |
DE-102010047714-A1 | Derivatives of steroid benzylamines with antiparasitic, antibacterial, antifungal and / or antiviral activity | 20101006 |
EP-2625190-A2 | Derivatives of steroid benzylamines, having an antiparasitic, antibacterial, antimycotic and/or antiviral action | 20101006 |
US-2013266645-A1 | Derivatives of steroid benzylamines, having an antiparasitic antibacterial, antimycotic and/or antiviral action | 20101006 |
US-9382288-B2 | Derivatives of steroid benzylamines, having an antiparasitic antibacterial, antimycotic and/or antiviral action | 20101006 |
PMID | Publication Date | Title | Journal |
20849113 | 20101108 | Solid-phase synthesis of highly diverse purine-hydroxyquinolinone bisheterocycles | Journal of combinatorial chemistry |
Complexity: | 253 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.08412354 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.08412354 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 72.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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