中文版English

CAS Number: 23866-72-0
ethyl 7-hydroxy-4-oxo-4H-chromene-2-carboxylate

Structure

ethyl 7-hydroxy-4-oxo-4H-chromene-2-carboxylate
Name: ethyl 7-hydroxy-4-oxo-4H-chromene-2-carboxylate
Synonyms:
General Information
Product Number: 23866720
CAS Registry Number: 23866-72-0
Name:
        4H-​1-​Benzopyran-​2-​carboxylic acid, 7-​hydroxy-​4-​oxo-​, ethyl ester
        7-​Hydroxy-​4-​oxo-​4H-​1-​benzylpyran-​2-​carboxylic acid ethyl ester; Ethyl 7-​hydroxy-​4-​oxo-​4H-​1-​benzopyran-​2-​carboxylate; Ethyl 7-​hydroxy-​4-​oxo-​4H-​chromen-​2-​carboxylate; Ethyl 7-​hydroxy-​4-​oxo-​4H-​chromene-​2-​carboxylate; Ethyl 7-​hydroxychromon-​2-​carboxylate 
 
Chemical Formula: C12H10O5
Exact Mass: 234.05
Molecular Weight: 234.20
m/z: 234.05 (100.0%), 235.06 (13.3%), 236.06 (1.8%)
Elemental Analysis: C, 61.54; H, 4.30; O, 34.16
 
InChI: InChI=1S/C12H10O5/c1-2-16-12(15)11-6-9(14)8-4-3-7(13)5-10(8)17-11/h3-6,13H,2H2,1H3
InChIKey: RKIMFICEWCXBCE-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CC(=O)C2=C(O1)C=C(C=C2)O
 
Thermal Properties Value Condition Note
Melting Point 226-228 °C   (5)CAS
Melting Point 224-225 °C Solv: ethanol (64-17-5) (6)IC
Melting Point 219-222 °C Solv: ethyl acetate (141-78-6); ethyl ether (60-29-7) (4)CAS
Melting Point 210-211 °C Solv: methanol (67-56-1); isopropyl ether (108-20-3) (3)CAS

Specification

98%

References
  1. (1) ACD: Spectral data were obtained from Advanced Chemistry Development, Inc.
  2. (2) Ellis, Gwynn P.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1981, (9), P2557-60 CAPLUS
  3. (3) Walenzyk, Thomas; Tetrahedron 2005, V61(31), P7366-7377 CAPLUS
  4. (4) Kwak, Jae-Hwan; Archives of Pharmacal Research 2006, V29(9), P728-734 CAPLUS
  5. (5) Cairns, Hugh; DE 1802961 B2 1969 CAPLUS
  6. (6) Appleton, R. A.; Journal of Medicinal Chemistry 1977, V20(3), P371-9 CAPLUS
Contact Us
TEL:  86-17758012822
FAX:  86-571-87759731
E-mail:sales@hzchempro.com
[ CLOSE ]