6'-Cyano-2',3'-dihydro-α-methyl-5'-oxospiro[1,3-dioxolane-2,1'(5'H)-indolizine]-7'-acetic Acid Ethyl Ester - CAS 1586782-19-5
Catalog: |
BB069150 |
Product Name: |
6'-Cyano-2',3'-dihydro-α-methyl-5'-oxospiro[1,3-dioxolane-2,1'(5'H)-indolizine]-7'-acetic Acid Ethyl Ester |
CAS: |
1586782-19-5 |
Synonyms: |
Ethyl 2-(6-cyano-5-oxo-2,3-dihydro-5H-spiro[indolizine-1,2'-[1,3]dioxolan]-7-yl)propanoate |
IUPAC Name: | ethyl 2-(6'-cyano-5'-oxospiro[1,3-dioxolane-2,1'-2,3-dihydroindolizine]-7'-yl)propanoate |
Description: | 6'-Cyano-2',3'-dihydro-α-methyl-5'-oxospiro[1,3-dioxolane-2,1'(5'H)-indolizine]-7'-acetic Acid Ethyl Ester is a key intermediate in the synthesis of camptothecin (C175150) analogues. |
Molecular Weight: | 318.32 |
Molecular Formula: | C16H18N2O5 |
Canonical SMILES: | CCOC(=O)C(C)C1=C(C(=O)N2CCC3(C2=C1)OCCO3)C#N |
InChI: | InChI=1S/C16H18N2O5/c1-3-21-15(20)10(2)11-8-13-16(22-6-7-23-16)4-5-18(13)14(19)12(11)9-17/h8,10H,3-7H2,1-2H3 |
InChI Key: | ZXDNGJPDHJGXHD-UHFFFAOYSA-N |
Solubility: | DCM, Chloroform |
Appearance: | White Solid |
References: | Fan, Y., et al. J. Med. Chem., 41, 2216 (1998), Kaufmann, S.H., et al. Biochim. Biophys. Acta, 1400, 195 (1998),. |
Complexity: | 663 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 318.12157168 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 318.12157168 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 88.9Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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