(S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10(4H)-trione - CAS 110351-94-5
Catalog: |
BB002615 |
Product Name: |
(S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10(4H)-trione |
CAS: |
110351-94-5 |
Synonyms: |
(4S)-4-Ethyl-7,8-dihydro-4-hydroxy-1H-pyrano[3,4-f]indolizine-3,6,10(4H)-trione; (S)-4-Ethyl-7,8-dihydro-4-hydroxy-1H-pyrano[3,4-f]indolizine-3,6,10(4H)-trione; 1H-Pyrano[3,4-f]indolizine-3,6,10(4H)-trione, 4-ethyl-7,8-dihydro-4-hydroxy-, (4S)- |
IUPAC Name: | (4S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10-trione |
Description: | (S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10(4H)-trione is a key intermediate in the synthesis of Exatecan, Irinotecan and Camptothecin analogs. |
Molecular Weight: | 263.25 |
Molecular Formula: | C13H13NO5 |
Canonical SMILES: | CCC1(C2=C(COC1=O)C(=O)N3CCC(=O)C3=C2)O |
InChI: | InChI=1S/C13H13NO5/c1-2-13(18)8-5-9-10(15)3-4-14(9)11(16)7(8)6-19-12(13)17/h5,18H,2-4,6H2,1H3/t13-/m0/s1 |
InChI Key: | IGKWOGMVAOYVSJ-ZDUSSCGKSA-N |
Boiling Point: | 666.6±55.0°C (Predicted) |
Melting Point: | 183-185°C (dec.) |
Purity: | ≥95% |
Density: | 1.50±0.1 g/cm3 (Predicted) |
Appearance: | Light Yellow Solid |
Storage: | Store at 2-8°C |
MDL: | MFCD09833229 |
LogP: | 0.08910 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021148500-A1 | Compounds and conjugates thereof | 20200122 |
WO-2021148501-A1 | Compounds and conjugates thereof | 20200122 |
WO-2020219287-A1 | Camptothecin derivatives | 20190426 |
US-2021077482-A1 | Camptothecin derivatives | 20190426 |
US-2020306243-A1 | Compounds and conjugates thereof | 20190329 |
Complexity: | 574 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 263.07937252 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 263.07937252 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 83.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.8 |
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