6-Bromo-7-methoxy-1,1-dimethyl-3,4-dihydronaphthalen-2(1H)-one - CAS 1256578-99-0
Catalog: |
BB006175 |
Product Name: |
6-Bromo-7-methoxy-1,1-dimethyl-3,4-dihydronaphthalen-2(1H)-one |
CAS: |
1256578-99-0 |
Synonyms: |
6-bromo-7-methoxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one; 6-bromo-7-methoxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one |
IUPAC Name: | 6-bromo-7-methoxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one |
Description: | 6-Bromo-7-methoxy-1,1-dimethyl-3,4-dihydronaphthalen-2(1H)-one (CAS# 1256578-99-0) is an intermediate of Alectinib (C183360), a highly selective and potent anaplastic lymphoma kinase (ALK) inhibitor capable of blocking the resistant gatekeeper mutant, which results in reduced cell growth. |
Molecular Weight: | 283.16 |
Molecular Formula: | C13H15BrO2 |
Canonical SMILES: | CC1(C(=O)CCC2=CC(=C(C=C21)OC)Br)C |
InChI: | InChI=1S/C13H15BrO2/c1-13(2)9-7-11(16-3)10(14)6-8(9)4-5-12(13)15/h6-7H,4-5H2,1-3H3 |
InChI Key: | BCYSBQVQSCOMEH-UHFFFAOYSA-N |
LogP: | 3.25060 |
Publication Number | Title | Priority Date |
CN-110790652-A | Imatinib intermediate, synthetic method thereof and intermediate | 20191115 |
CN-110452215-B | Preparation method of erlotinib intermediate and erlotinib | 20180508 |
WO-2019211868-A1 | Improved process for the preparation of 9-ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl) piperidin-1-yl]-11-oxo-6,11-dihydro-5h-benzo[b]carbazole-3-carbonitrile hydrochloride | 20180430 |
US-2016257667-A1 | Synthesis of intermediates in the preparation of alk inhibitor | 20150302 |
US-9573932-B2 | Synthesis of intermediates in the preparation of ALK inhibitor | 20150302 |
Complexity: | 288 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 282.02554 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 282.02554 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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