2-(4-Methoxyphenyl)-4H-furo[3,2-b]pyrrole-5-carboxylic Acid Ethyl Ester - CAS 956296-80-3
Catalog: |
BB060104 |
Product Name: |
2-(4-Methoxyphenyl)-4H-furo[3,2-b]pyrrole-5-carboxylic Acid Ethyl Ester |
CAS: |
956296-80-3 |
Synonyms: |
ethyl 2-(4-methoxyphenyl)-4H-furo[3,2-b]pyrrole-5-carboxylate; 2-(4-Methoxyphenyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid ethyl ester |
IUPAC Name: | ethyl 2-(4-methoxyphenyl)-4H-furo[3,2-b]pyrrole-5-carboxylate |
Description: | 2-(4-Methoxyphenyl)-4H-furo[3,2-b]pyrrole-5-carboxylic Acid Ethyl Ester is an intermediate in the synthesis of near-IR fluorescent dyes. |
Molecular Weight: | 285.29 |
Molecular Formula: | C16H15NO4 |
Canonical SMILES: | CCOC(=O)C1=CC2=C(N1)C=C(O2)C3=CC=C(C=C3)OC |
InChI: | InChI=1S/C16H15NO4/c1-3-20-16(18)13-9-15-12(17-13)8-14(21-15)10-4-6-11(19-2)7-5-10/h4-9,17H,3H2,1-2H3 |
InChI Key: | APWDDGCWIAEBAP-UHFFFAOYSA-N |
Solubility: | DCM, Methanol |
Appearance: | Brown Solid |
References: | Umezawa, K., et al. J. Am. Chem. Soc., 130, 1550 (2008). |
Complexity: | 367 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 285.10010796 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 285.10010796 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 64.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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