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CAS Number: 19247-87-1
ethyl 4-(5-formylfuran-2-yl)benzoate

Structure

ethyl 4-(5-formylfuran-2-yl)benzoate
Name: ethyl 4-(5-formylfuran-2-yl)benzoate
Synonyms:
General Information
Product Number: 19247871
CAS Registry Number: 19247-87-1
Name:
        Benzoic acid, 4-​(5-​formyl-​2-​furanyl)​-​, ethyl ester
        Benzoic acid, p-​(5-​formyl-​2-​furyl)​-​, ethyl ester (8CI); 4-​(5-​formyl-​2-​furanyl)​benzoic acid ethyl ester; 5-​(4-​Carbethoxyphenyl)​-​2-​furaldehyde; Ethyl 4-​(5-​formylfuran-​2-​yl)​benzoate 
 
Chemical Formula: C14H12O4
Exact Mass: 244.07
Molecular Weight: 244.24
m/z: 244.07 (100.0%), 245.08 (15.4%), 246.08 (1.9%)
Elemental Analysis: C, 68.85; H, 4.95; O, 26.20
 
InChI: InChI=1S/C14H12O4/c1-2-17-14(16)11-5-3-10(4-6-11)13-8-7-12(9-15)18-13/h3-9H,2H2,1H3
InChIKey: UWLKFGFYBKJASW-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=O
 
Thermal Properties Value Condition Note
Melting Point 127.1-128.6 °C   (2)CAS
Melting Point 113-115 °C   (4)CAS

Specification

98%

References
  1. (1) Paizs, Csaba; Tetrahedron: Asymmetry 2003, V14(13), P1895-1904 CAPLUS
  2. (2) Chen, Yi-Hung; Angewandte Chemie, International Edition 2008, V47(40), P7648-7651 CAPLUS
  3. (3) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  4. (4) Harnisch, Horst; GB 1125535 1968 CAPLUS
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