- Asymmetric Alkylation of Anthrones, Enantioselective Total Synthesis of (-)- and (+)-Viridicatumtoxins B and Analogues Thereof: Absolute Configuration and Potent Antibacterial AgentsNicolaou, K. C. ; Liu, Guodu; Beabout, Kathryn; McCurry, Megan D.; Shamoo, Yousif, Journal of the American Chemical Society, 2017, 139(10), 3736-3746
Cas no 95088-20-3 (N-(4-Trifluoromethylbenzyl)cinchoninium Bromide)
95088-20-3 structure
Product Name:N-(4-Trifluoromethylbenzyl)cinchoninium Bromide
CAS No:95088-20-3
MF:C27H28BrF3N2O
MW:533.423236846924
MDL:MFCD00082433
CID:61764
PubChem ID:11421253
Update Time:2025-07-26
N-(4-Trifluoromethylbenzyl)cinchoninium Bromide Chemical and Physical Properties
Names and Identifiers
-
- N-(4-Trifloromethybenzyl)cinchoninum bromide
- (S)-[(2R,4S,5R)-5-ethenyl-1-[[4-(trifluoromethyl)phenyl]methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol,bromide
- N-(4-TRIFLUOROMETHYLBENZYL)CINCHONINIUM BROMIDE
- U112
- N-(4-Trifluoromethylbenzyl)cinchoniniumbromide
- N-[4-(Trifluoromethyl)benzyl]cinchoninium bromide, 80%
- N-[4-(trifluoromethyl)benzy]cinchoninium bromide
- N-[4-(Trifluoromethyl)benzyl]cinchoninium bromide
- (2R,4S,5R)-2-((S)-hydroxy(quinolin-4-yl)methyl)-1-(4-(trifluoromethyl)benzyl)-5-vinyl-1-azoniabicyclo[2.2.2]octane bromide
- 95088-20-3
- SCHEMBL1657858
- n-[4-(trifluoromethyl)benzyl]-cinchoninium bromide
- (2R,4S,5R)-2-((S)-Hydroxy(quinolin-4-yl)methyl)-1-(4-(trifluoromethyl)benzyl)-5-vinylquinuclidin-1-ium bromide
- (S)-[(2R,4S,5R)-5-ethenyl-1-[[4-(trifluoromethyl)phenyl]methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;bromide
- N-(4-Trifluoromethylbenzyl)cinchoninium Bromide
-
- MDL： MFCD00082433
- Inchi： 1S/C27H28F3N2O.BrH/c1-2-19-17-32(16-18-7-9-21(10-8-18)27(28,29)30)14-12-20(19)15-25(32)26(33)23-11-13-31-24-6-4-3-5-22(23)24;/h2-11,13,19-20,25-26,33H,1,12,14-17H2;1H/q+1;/p-1/t19-,20-,25+,26-,32+;/m0./s1
- InChI Key： LOCWWLLFHKDFLF-IGKFHUQKSA-M
- SMILES： C(C1C=CC(C(F)(F)F)=CC=1)[N@+]12CC[C@H]([C@H](C1)C=C)C[C@@H]2[C@H](C1C=CN=C2C=CC=CC=12)O.[Br-]
Computed Properties
- Exact Mass: 532.13400
- Monoisotopic Mass: 532.13371g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 34
- Rotatable Bond Count: 5
- Complexity: 691
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 33.1?2
Experimental Properties
- Color/Form: Pale yellow powder
- Melting Point: 245 oC (dec.)
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 33.12000
- LogP: 2.86120
N-(4-Trifluoromethylbenzyl)cinchoninium Bromide Security Information
- WGK Germany：3
- Hazard Category Code： R36/37/38
- Safety Instruction： S22-S24/25-S26-S36
- FLUKA BRAND F CODES：3
-
Hazardous Material Identification：
- Risk Phrases：R36/37/38
N-(4-Trifluoromethylbenzyl)cinchoninium Bromide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | T902025-10mg |
N-(4-Trifluoromethylbenzyl)cinchoninium Bromide |
95088-20-3 | 10mg |
$64.00 | 2023-05-17 | ||
| TRC | T902025-50mg |
N-(4-Trifluoromethylbenzyl)cinchoninium Bromide |
95088-20-3 | 50mg |
$75.00 | 2023-05-17 | ||
| TRC | T902025-100mg |
N-(4-Trifluoromethylbenzyl)cinchoninium Bromide |
95088-20-3 | 100mg |
$92.00 | 2023-05-17 | ||
| TRC | T902025-250mg |
N-(4-Trifluoromethylbenzyl)cinchoninium Bromide |
95088-20-3 | 250mg |
$190.00 | 2023-05-17 | ||
| SU ZHOU XIN JIA YUAN HUA XUE Technology Co., Ltd. | lj1473-1g |
N-(4-Trifluoromethylbenzyl)cinchoninium Bromide |
95088-20-3 | 98%,99%ee | 1g |
￥2500.0 | 2024-07-19 | |
| SU ZHOU XIN JIA YUAN HUA XUE Technology Co., Ltd. | lj1473-250mg |
N-(4-Trifluoromethylbenzyl)cinchoninium Bromide |
95088-20-3 | 98%,99%ee | 250mg |
￥800.0 | 2024-07-19 | |
| Chemenu | CM146076-1g |
(2R,4S,5R)-2-((S)-hydroxy(quinolin-4-yl)methyl)-1-(4-(trifluoromethyl)benzyl)-5-vinylquinuclidin-1-ium bromide |
95088-20-3 | 97% | 1g |
$*** | 2023-05-29 | |
| SHANG HAI SHAO YUAN SHI JI Co., Ltd. | SY103018-1g |
N-[4-(Trifluoromethyl)benzyl]cinchoninium Bromide |
95088-20-3 | ≥95% | 1g |
￥2568.00 | 2025-04-11 | |
| eNovation Chemicals LLC | D634569-1g |
(S)-[(2R,4S,5R)-5-ethenyl-1-[[4-(trifluoromethyl)phenyl]methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol,bromide |
95088-20-3 | 98% | 1g |
$225 | 2025-02-20 | |
| eNovation Chemicals LLC | D634569-5g |
(S)-[(2R,4S,5R)-5-ethenyl-1-[[4-(trifluoromethyl)phenyl]methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol,bromide |
95088-20-3 | 98% | 5g |
$695 | 2025-02-20 |
N-(4-Trifluoromethylbenzyl)cinchoninium Bromide Production Method
Production Method 1
Reaction Conditions
1.1 Solvents: Tetrahydrofuran ; 3 h, 80 °C; 80 °C → 25 °C
Reference
Production Method 2
Reaction Conditions
Reference
- Catalytic enantioselective epoxidation of nitroalkenesVidal-Albalat, A.; Swiderek, K.; Izquierdo, J.; Rodriguez, S.; Moliner, V.; et al, Chemical Communications (Cambridge, 2016, 52(65), 10060-10063
Production Method 3
Reaction Conditions
Reference
- Asymmetric epoxidation of α,β-unsaturated ketones under phase-transfer catalyzed conditionsArai, Shigeru; Tsuge, Hiroki; Shioiri, Takayuki, Tetrahedron Letters, 1998, 39(41), 7563-7566
Production Method 4
Reaction Conditions
1.1 Solvents: Tetrahydrofuran ; 3.5 h, reflux
Reference
- Asymmetric Direct α-Hydroxylation of β-Oxo Esters by Phase-Transfer Catalysis Using Chiral Quaternary Ammonium SaltsLian, Mingming; Li, Zhi; Du, Jian; Meng, Qingwei; Gao, Zhanxian, European Journal of Organic Chemistry, 2010, (34), 6525-6530
Production Method 5
Reaction Conditions
1.1 Solvents: Tetrahydrofuran ; 4 h, 80 °C; 80 °C → rt
1.2 Reagents: Diethyl ether ; 0.5 h, rt
1.2 Reagents: Diethyl ether ; 0.5 h, rt
Reference
- Synthesis of cinchonine quaternary ammonium salts and the catalysis of asymmetric alkylationLi, Zhi; Lian, Ming-ming; Meng, Qing-wei, Gaodeng Xuexiao Huaxue Xuebao, 2010, 31(8), 1564-1569
Production Method 6
Reaction Conditions
1.1 Solvents: Isopropanol ; reflux
Reference
- Synthesis, Biological Evaluation and Machine Learning Prediction Model for Fluorinated Cinchona Alkaloid-Based Derivatives as Cholinesterase InhibitorsRamic, Alma; Matosevic, Ana; Debanic, Barbara; Mikelic, Ana; Primozic, Ines; et al, Pharmaceuticals, 2022, 15(10),
Production Method 7
Reaction Conditions
Reference
- Synthesis and antimicrobial activity of enantioenriched viridicatumtoxin B analogs, World Intellectual Property Organization, , ,
Production Method 8
Reaction Conditions
Reference
- Monodeazacinchona alkaloid derivatives: synthesis and preliminary applications as phase-transfer catalystsDehmlow, Eckehard Volker; Duttmann, Stephanie; Neumann, Beate; Stammler, Hans-Georg, European Journal of Organic Chemistry, 2002, (13), 2087-2093
Production Method 9
Reaction Conditions
Reference
- Asymmetric synthesis of N-arylaziridinesAires-de-Sousa, Joao; Prabhakar, Sundaresan; Lobo, Ana M.; Rosa, Ana M.; Gomes, Mario J. S.; et al, Tetrahedron: Asymmetry, 2002, 12(24), 3349-3365
Production Method 10
Reaction Conditions
Reference
- Asymmetric Weitz-Scheffer epoxidation of isoflavones with hydroperoxides mediated by optically active phase-transfer catalystsAdam, Waldemar; Rao, Paraselli Bheema; Degen, Hans-Georg; Levai, Albert; Patonay, Tamas; et al, Journal of Organic Chemistry, 2002, 67(1), 259-264
N-(4-Trifluoromethylbenzyl)cinchoninium Bromide Raw materials
N-(4-Trifluoromethylbenzyl)cinchoninium Bromide Preparation Products
N-(4-Trifluoromethylbenzyl)cinchoninium Bromide Suppliers
Amadis Chemical Company Limited
Gold Member
Audited Supplier
(CAS:95088-20-3)N-(4-Trifluoromethylbenzyl)cinchoninium Bromide
Order Number:A1238868
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 18:36
Price ($):364
Email:[email protected]
N-(4-Trifluoromethylbenzyl)cinchoninium Bromide Related Literature
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Recommended suppliers
Amadis Chemical Company Limited
(CAS:95088-20-3)N-(4-Trifluoromethylbenzyl)cinchoninium Bromide
Purity:99%
Quantity:1g
Price ($):364