Ethyl 1,4-Benzodioxan-2-carboxylate - CAS 4739-94-0
Catalog: |
BB026275 |
Product Name: |
Ethyl 1,4-Benzodioxan-2-carboxylate |
CAS: |
4739-94-0 |
Synonyms: |
2,3-dihydro-1,4-benzodioxin-3-carboxylic acid ethyl ester; ethyl 2,3-dihydro-1,4-benzodioxine-3-carboxylate |
IUPAC Name: | ethyl 2,3-dihydro-1,4-benzodioxine-3-carboxylate |
Description: | Ethyl 1,4-Benzodioxan-2-carboxylate (CAS# 4739-94-0) is an intermediate used to prepare presynaptic α2-adrenoreceptor antagonists and potential antidepressants. It is also used to prepare aminoalkylbenzodioxins as calcium antagonists. |
Molecular Weight: | 208.21 |
Molecular Formula: | C11H12O4 |
Canonical SMILES: | CCOC(=O)C1COC2=CC=CC=C2O1 |
InChI: | InChI=1S/C11H12O4/c1-2-13-11(12)10-7-14-8-5-3-4-6-9(8)15-10/h3-6,10H,2,7H2,1H3 |
InChI Key: | DDIGEMWIKJMEIU-UHFFFAOYSA-N |
Boiling Point: | 287.2 °C at 760 mmHg |
Density: | 1.208 g/cm3 |
MDL: | MFCD01099774 |
LogP: | 1.38950 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-102127052-A | Method for synthesizing 1,4-benzdioxan-2-carboxylic acid | 20110125 |
CN-102127052-B | Method for synthesizing 1,4-benzdioxan-2-carboxylic acid | 20110125 |
AU-2010227311-A1 | Process for the preparation of doxazosin and salts thereof | 20090323 |
AU-2010227311-B2 | Process for the preparation of doxazosin and salts thereof | 20090323 |
CA-2756376-A1 | Process for the preparation of doxazosin and salts thereof | 20090323 |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.07355886 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 44.8 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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