Diethyl 2-(6-Methoxy-3-pyridyl)malonate - CAS 902130-84-1
Catalog: |
BB039783 |
Product Name: |
Diethyl 2-(6-Methoxy-3-pyridyl)malonate |
CAS: |
902130-84-1 |
Synonyms: |
2-(6-methoxy-3-pyridinyl)propanedioic acid diethyl ester; diethyl 2-(6-methoxypyridin-3-yl)propanedioate |
IUPAC Name: | diethyl 2-(6-methoxypyridin-3-yl)propanedioate |
Description: | Diethyl 2-(6-Methoxy-3-pyridyl)malonate (CAS# 902130-84-1 ) is a useful research chemical. |
Molecular Weight: | 267.28 |
Molecular Formula: | C13H17NO5 |
Canonical SMILES: | CCOC(=O)C(C1=CN=C(C=C1)OC)C(=O)OCC |
InChI: | InChI=1S/C13H17NO5/c1-4-18-12(15)11(13(16)19-5-2)9-6-7-10(17-3)14-8-9/h6-8,11H,4-5H2,1-3H3 |
InChI Key: | JMPQDPMNTQENAR-UHFFFAOYSA-N |
LogP: | 1.30000 |
Publication Number | Title | Priority Date |
US-10364208-B2 | Oxidative coupling of aryl boron reagents with SP3-carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis | 20170105 |
US-2018186721-A1 | Oxidative coupling of aryl boron reagents with sp3-carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis | 20170105 |
EP-3250569-A1 | Aldosterone synthase inhibitors | 20150130 |
EP-3250569-B1 | Aldosterone synthase inhibitors | 20150130 |
JP-2018503647-A | Aldosterone synthase inhibitor | 20150130 |
Complexity: | 289 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.11067264 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.11067264 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 74.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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