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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

tert-butyl 7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

O=C(N1CCc2c(C1)cc(cc2)C(F)(F)F)OC(C)(C)C Request for Quotation
Chemical Name: tert-butyl 7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CAS Number: 1257855-77-8
Product Number: AG000OQ1(AGN-PC-0BSIUQ)
Synonyms:
MDL No:
Molecular Formula: C15H18F3NO2
Molecular Weight: 301.3041

Identification/Properties

Computed Properties
Molecular Weight:
301.309g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
301.129g/mol
Monoisotopic Mass:
301.129g/mol
Topological Polar Surface Area:
29.5A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
389
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

NMR Spectrum

Other Analytical Data

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Chemical Structure


The tert-Butyl 7-(trifluoromethyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate is a versatile compound widely used in chemical synthesis as a key building block in the preparation of various pharmaceuticals, agrochemicals, and materials. Its unique molecular structure incorporating a trifluoromethyl group and a tert-butyl ester allows for the efficient modification of other molecules through catalytic processes such as cross-coupling reactions and reduction reactions. This compound has been utilized in the development of novel drugs targeting neurological disorders, as well as in the creation of advanced materials with enhanced properties for industrial applications.