Methyl (E)-1-Acetyl-3-[methoxy(phenyl)methylene]-2-oxoindoline-6-carboxylate - CAS 1168152-07-5
Catalog: |
BB003816 |
Product Name: |
Methyl (E)-1-Acetyl-3-[methoxy(phenyl)methylene]-2-oxoindoline-6-carboxylate |
CAS: |
1168152-07-5 |
Synonyms: |
(3E)-1-acetyl-3-[methoxy(phenyl)methylidene]-2-oxo-6-indolecarboxylic acid methyl ester; methyl (3E)-1-acetyl-3-[methoxy(phenyl)methylidene]-2-oxoindole-6-carboxylate |
IUPAC Name: | methyl (3E)-1-acetyl-3-[methoxy(phenyl)methylidene]-2-oxoindole-6-carboxylate |
Description: | Methyl (E)-1-Acetyl-3-[methoxy(phenyl)methylene]-2-oxoindoline-6-carboxylate (CAS# 1168152-07-5) is a useful research chemical. |
Molecular Weight: | 351.35 |
Molecular Formula: | C20H17NO5 |
Canonical SMILES: | CC(=O)N1C2=C(C=CC(=C2)C(=O)OC)C(=C(C3=CC=CC=C3)OC)C1=O |
InChI: | InChI=1S/C20H17NO5/c1-12(22)21-16-11-14(20(24)26-3)9-10-15(16)17(19(21)23)18(25-2)13-7-5-4-6-8-13/h4-11H,1-3H3/b18-17+ |
InChI Key: | IAELOHNWFVWCNO-ISLYRVAYSA-N |
LogP: | 2.94600 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P308+P313, P312, P322, P330, P363, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019097112-A1 | Synthesis of a 2-indolinone derivative known as intermediate for preparing nintedanib | 20171117 |
CA-3082714-A1 | Synthesis of a 2-indolinone derivative known as intermediate for preparing nintedanib | 20171117 |
CN-111465594-A | Synthesis of 2-indolinones known as intermediates for the preparation of nintedanib | 20171117 |
EP-3710427-A1 | Synthesis of a 2-indolinone derivative known as intermediate for preparing nintedanib | 20171117 |
US-2020299275-A1 | Synthesis of 2-indolinone derivatives | 20171117 |
Complexity: | 620 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 351.11067264 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 351.11067264 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 72.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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