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CAS Number: 130312-00-4
ethyl 2-(dihydro-2H-pyran-4(3H)-ylidene)acetate

Structure

 ethyl 2-(dihydro-2H-pyran-4(3H)-ylidene)acetate
Name: ethyl 2-(dihydro-2H-pyran-4(3H)-ylidene)acetate
Synonyms:
General Information
Product Number: 130312004
CAS Registry Number: 130312-00-4
Name:
Acetic acid, 2-​(tetrahydro-​4H-​pyran-​4-​ylidene)​-​, ethyl ester
Acetic acid, (tetrahydro-​4H-​pyran-​4-​ylidene)​-​, ethyl ester (9CI); (Tetrahydropyran-​4-​ylidene)​acetic acid ethyl ester; Ethyl (tetrahydropyran-​4-​ylidene)​acetate; Ethyl tetrahydro-​2H-​pyran-​4-​ylideneacetate 
 
Chemical Formula: C9H14O3
Exact Mass: 170.09
Molecular Weight: 170.21
m/z: 170.09 (100.0%), 171.10 (10.0%), 172.10 (1.1%)
Elemental Analysis: C, 63.51; H, 8.29; O, 28.20
 
InChI: InChI=1S/C9H14O3/c1-2-12-9(10)7-8-3-5-11-6-4-8/h7H,2-6H2,1H3
InChIKey: HMRYLZJIPRVVCW-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C=C1CCOCC1
 
Thermal Properties Value Condition Note
Boiling Point 113 °C   (1)CAS
Boiling Point 80-84 °C Press: 1 Torr (2)IC

Specification

98%
References
  1. (1) Kohlbach, D.; Justus Liebigs Annalen der Chemie 1937, V532, P69-82 CAPLUS
  2. (2) Lammek, Bernard; Polish Journal of Chemistry 1990, V64(1-6), P351-3 CAPLUS
  3. (3) Venkatesan, Aranapakam M.; Journal of Medicinal Chemistry 2004, V47(25), P6255-6269 CAPLUS
  4. (4) Kitbunnadaj, Ruengwit; Bioorganic & Medicinal Chemistry 2005, V13(23), P6309-6323 CAPLUS
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