4-Chloro-7-(3-chloropropoxy)-6-methoxyquinoline-3-carbonitrile - CAS 214470-68-5
Catalog: |
BB016871 |
Product Name: |
4-Chloro-7-(3-chloropropoxy)-6-methoxyquinoline-3-carbonitrile |
CAS: |
214470-68-5 |
Synonyms: |
4-chloro-7-(3-chloropropoxy)-6-methoxy-3-quinolinecarbonitrile; 4-chloro-7-(3-chloropropoxy)-6-methoxyquinoline-3-carbonitrile |
IUPAC Name: | 4-chloro-7-(3-chloropropoxy)-6-methoxyquinoline-3-carbonitrile |
Description: | 4-Chloro-7-(3-chloropropoxy)-6-methoxyquinoline-3-carbonitrile (CAS# 214470-68-5) is a useful intermediate in the green preparation of the anti-tumor medication Bosutinib (B676095). |
Molecular Weight: | 311.16 |
Molecular Formula: | C14H12Cl2N2O2 |
Canonical SMILES: | COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)Cl)OCCCCl |
InChI: | InChI=1S/C14H12Cl2N2O2/c1-19-12-5-10-11(6-13(12)20-4-2-3-15)18-8-9(7-17)14(10)16/h5-6,8H,2-4H2,1H3 |
InChI Key: | BEGHZKYNLSIHIA-UHFFFAOYSA-N |
Boiling Point: | 478.1 ℃ at 760 mmHg |
Density: | 1.37 g/cm3 |
LogP: | 3.77618 |
Publication Number | Title | Priority Date |
WO-2017134679-A1 | Novel crystalline polymorphs of 4-[(2.4-dichioro-5-methoxvphenvl)aniinol- 6-methoxv-7-13-(4-methyl-l-piperazinvl)propoxvl-3-quinolinecarbonitrile and process for preparation thereof | 20160203 |
WO-2016034150-A1 | Method for preparing bosutinib and crystal thereof | 20140904 |
WO-2015198249-A1 | Process for preparation of bosutinib | 20140627 |
WO-2014086284-A1 | Deuterated 3-cyano quinoline compound, pharmaceutical composition, preparation method and use thereof | 20121204 |
US-2009264427-A1 | 3-Cyanoquinolines, Methods for Preparation and Use as Insulin-like Growth Factor Inhibitors | 20080416 |
Complexity: | 360 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 310.027583 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 310.027583 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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