9-Mesityl-10-methylacridinium Tetrafluoroborate - CAS 1442433-71-7
Catalog: |
BB056406 |
Product Name: |
9-Mesityl-10-methylacridinium Tetrafluoroborate |
CAS: |
1442433-71-7 |
Synonyms: |
10-Methyl-9-(2,4,6-trimethylphenyl)-acridinium Tetrafluoroborate(1-) (1:1) |
IUPAC Name: | 10-methyl-9-(2,4,6-trimethylphenyl)acridin-10-iumtetrafluoroborate |
Description: | 9-Mesityl-10-methylacridinium Tetrafluoroborate can be used for the synthesis of γ-butyrolactones, γ-lactams and pyrrolidines. 9-Mesityl-10-methylacridinium Tetrafluoroborate has been reported by Nicewicz et al. to mediate myriad transformations through Photoredox Catalysis. The applications include the anti-Markovnikov hydroamination of alkenes and addition of carboxylic acids to alkenes and the hydrotrifluoromethylation of styrenes using the Langlois reagent S673690. |
Molecular Weight: | 399.23 |
Molecular Formula: | C23H22BF4N |
Canonical SMILES: | [B-](F)(F)(F)F.CC1=CC(=C(C(=C1)C)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)C)C |
InChI: | InChI=1S/C23H22N.BF4/c1-15-13-16(2)22(17(3)14-15)23-18-9-5-7-11-20(18)24(4)21-12-8-6-10-19(21)232-1(3,4)5/h5-14H,1-4H3/q+1-1 |
InChI Key: | KKMWMXQQOIIJIZ-UHFFFAOYSA-N |
Melting Point: | >80°C (dec.) |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Yellow to Dark Yellow Solid |
Storage: | Amber Vial, -20°C Freezer, Under inert atmosphere |
References: | Gesmundo, N. J. et al. Org. Lett. 17, 1316 (2015); Zeller, M. A., et al. Org. Lett. 16, 4810 (2014); Nicewicz et al., J. Am. Chem. Soc., 135 (26), 9588-9591(2013). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021222522-A1 | Cd73 inhibiting 2,4-dioxopyrimidine compounds | 20200501 |
AU-2018281131-A1 | Pyrazolopyrimidine PDE9 inhibitors | 20170608 |
CA-3064938-A1 | Pyrazolopyrimidine pde9 inhibitors | 20170608 |
KR-20200013758-A | Pyrazolopyrimidine PDE9 Inhibitor | 20170608 |
TW-201902898-A | Pyrazolopyrimidine PDE9 inhibitor | 20170608 |
US-2018354955-A1 | Pyrazolopyrimidine pde9 inhibitors | 20170608 |
US-2020140445-A1 | Pyrazolopyrimidine pde9 inhibitors | 20170608 |
JP-2020523309-A | Pyrazolopyrimidine PDE9 inhibitors | 20170608 |
US-10934294-B2 | Substituted pyrazolo[3,4-d]pyrimidines as PDE9 inhibitors | 20170608 |
US-11028092-B2 | Substituted pyrazolo[3,4-d]pyrimidines as PDE9 inhibitors | 20170608 |
Complexity: | 415 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 399.1781425 |
Formal Charge: | 0 |
Heavy Atom Count: | 29 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 399.1781425 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 3.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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