366188
N-Benzylcinchoninium chloride
98%
Synonym(s):
9-Hydroxy-1-(phenylmethyl)cinchonanium chloride, BCNC
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About This Item
Empirical Formula (Hill Notation):
C26H29ClN2O
CAS Number:
Molecular Weight:
420.97
UNSPSC Code:
12352005
NACRES:
NA.22
PubChem Substance ID:
EC Number:
273-915-8
Beilstein/REAXYS Number:
5232950
MDL number:
Quality Segment
assay
98%
form
solid
optical activity
[α]20/D +169°, c = 0.4 in H2O
mp
256 °C (dec.) (lit.)
functional group
hydroxyl, phenyl
SMILES string
[Cl-].O[C@H]([C@H]1C[C@@H]2CC[N+]1(C[C@@H]2C=C)Cc3ccccc3)c4ccnc5ccccc45
InChI
1S/C26H29N2O.ClH/c1-2-20-18-28(17-19-8-4-3-5-9-19)15-13-21(20)16-25(28)26(29)23-12-14-27-24-11-7-6-10-22(23)24;/h2-12,14,20-21,25-26,29H,1,13,15-18H2;1H/q+1;/p-1/t20-,21-,25+,26-,28?;/m0./s1
InChI key
FCHYSBWCOKEPNQ-YGNISETGSA-M
Application
Phase-transfer catalyst involved in:
- Enantioselective alkylation of malonic diester with alkyl halides
- Hydrolysis of enol esters
- Asymmetric 6π electrocyclization for synthesis of functionalized indolines
- Asymmetric Michael addition
- Alkylation of monosubstituted indolinones with alkylhalides
- Asymmetric destruction and kinetic resolution of 1-benzylated Reissert compounds
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
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