Methyl 7-Boc-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate - CAS 1174039-45-2
Catalog: |
BB003936 |
Product Name: |
Methyl 7-Boc-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate |
CAS: |
1174039-45-2 |
Synonyms: |
3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylic acid O7-tert-butyl ester O1-methyl ester; 7-O-tert-butyl 1-O-methyl 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate |
IUPAC Name: | 7-O-tert-butyl 1-O-methyl 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate |
Description: | Methyl 7-Boc-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate (CAS# 1174039-45-2 ) is a useful research chemical. |
Molecular Weight: | 349.31 |
Molecular Formula: | C14H18F3N3O4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCN2C(=C(N=C2C(F)(F)F)C(=O)OC)C1 |
InChI: | InChI=1S/C14H18F3N3O4/c1-13(2,3)24-12(22)19-5-6-20-8(7-19)9(10(21)23-4)18-11(20)14(15,16)17/h5-7H2,1-4H3 |
InChI Key: | AEQKPGZWGAVZIB-UHFFFAOYSA-N |
LogP: | 2.37710 |
Publication Number | Title | Priority Date |
WO-2012019430-A1 | Phthalazinone derivative, and preparation method and pharmaceutical use thereof | 20100810 |
EP-2604610-A1 | Phthalazinone ketone derivative, preparation method thereof, and pharmaceutical use thereof | 20100809 |
EP-2604610-B1 | Phthalazinone ketone derivative, preparation method thereof, and pharmaceutical use thereof | 20100809 |
JP-2013535491-A | Phthalazinone ketone derivative, its production method and pharmaceutical use | 20100809 |
JP-5808408-B2 | Phthalazinone ketone derivative, its production method and pharmaceutical use | 20100809 |
Complexity: | 507 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 349.12494055 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 349.12494055 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 73.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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