Methyl 4-Acetamido-2-hydroxybenzoate - CAS 4093-28-1
Catalog: |
BB024723 |
Product Name: |
Methyl 4-Acetamido-2-hydroxybenzoate |
CAS: |
4093-28-1 |
Synonyms: |
4-(Acetylamino)-2-hydroxy-benzoic Acid Methyl Ester; 4-Acetylaminosalicylic Acid Methyl Ester; Methyl 2-Hydroxy-4-(acetylamino)benzoate; Methyl 4-(Acetylamino)salicylate; Methyl 4-Acetamidosalicylate; USP Ethopabate Related Compound A |
IUPAC Name: | methyl 4-acetamido-2-hydroxybenzoate |
Description: | Methyl 4-Acetamido-2-hydroxybenzoate is a reagent used in the synthesis of Mosapride, which is a 5-HT4 receptor agonist and 5-HT3 receptor antagonist used as a gastroprokinetic agent. |
Molecular Weight: | 209.20 |
Molecular Formula: | C10H11NO4 |
Canonical SMILES: | CC(=O)NC1=CC(=C(C=C1)C(=O)OC)O |
InChI: | InChI=1S/C10H11NO4/c1-6(12)11-7-3-4-8(9(13)5-7)10(14)15-2/h3-5,13H,1-2H3,(H,11,12) |
InChI Key: | LCXHOHRQXZMSQN-UHFFFAOYSA-N |
Boiling Point: | 405.1±35.0°C (Predicted) |
Melting Point: | 142-146°C |
Purity: | ≥95% |
Density: | 1.317±0.06 g/cm3 (Predicted) |
Solubility: | Soluble in DMSO (Slightly), Methanol (Slightly) |
Appearance: | Light Orange to Light Brown Solid |
Storage: | Store at 2-8°C |
LogP: | 1.21020 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110818661-A | Preparation method of key intermediate 4-amino-5-halogenobenzofuran-7-carboxylic acid of 5-HT4 receptor agonist | 20191202 |
CN-110818661-B | Preparation method of key intermediate 4-amino-5-halogenobenzofuran-7-carboxylic acid of 5-HT4 receptor agonist | 20191202 |
CN-111437281-A | 4-acetamido-2-butoxybenzoic acid methyl ester derivative and preparation method and application thereof | 20190116 |
CN-108976216-B | Preparation method of prucalopride | 20180907 |
CN-109232544-B | Preparation method of prucalopride | 20180907 |
PMID | Publication Date | Title | Journal |
18304821 | 20080401 | Design, synthesis, inhibitory activity, and SAR studies of hydrophobic p-aminosalicylic acid derivatives as neuraminidase inhibitors | Bioorganic & medicinal chemistry |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.06880783 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.06880783 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 75.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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