2-[Hydroxy(4-phenoxyphenyl)methylene]malononitrile - CAS 330792-68-2
Catalog: |
BB021545 |
Product Name: |
2-[Hydroxy(4-phenoxyphenyl)methylene]malononitrile |
CAS: |
330792-68-2 |
Synonyms: |
2-[hydroxy-(4-phenoxyphenyl)methylidene]propanedinitrile; 2-[hydroxy-(4-phenoxyphenyl)methylidene]propanedinitrile |
IUPAC Name: | 2-[hydroxy-(4-phenoxyphenyl)methylidene]propanedinitrile |
Description: | 2-[Hydroxy(4-phenoxyphenyl)methylene]malononitrile (CAS# 330792-68-2) is a useful research chemical used in the preparation of pyrazolopyrimidines as protein kinase inhibitors. |
Molecular Weight: | 262.26 |
Molecular Formula: | C16H10N2O2 |
Canonical SMILES: | C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=C(C#N)C#N)O |
InChI: | InChI=1S/C16H10N2O2/c17-10-13(11-18)16(19)12-6-8-15(9-7-12)20-14-4-2-1-3-5-14/h1-9,19H |
InChI Key: | MWTPPIZIKZHMSK-UHFFFAOYSA-N |
LogP: | 3.79516 |
Publication Number | Title | Priority Date |
WO-2020234379-A1 | Processes and intermediates for preparing a btk inhibitor | 20190521 |
WO-2020234381-A1 | Processes and intermediates for preparing a btk inhibitor | 20190521 |
WO-2020117135-A1 | A process for preparation of 1h-pyrazolo[3,4-d] pyrimidine derivatives | 20181204 |
US-2020368237-A1 | Treatment of indolent or aggressive b-cell lymphomas using a combination comprising btk inhibitors | 20171129 |
CN-108727230-B | Ibrutinib intermediate and preparation method thereof | 20170421 |
Complexity: | 433 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.074227566 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 77 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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