13285
N-Benzylcinchonidinium chloride
purum, ≥98.0% (AT)
Synonym(s):
BCDC
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About This Item
Empirical Formula (Hill Notation):
C26H29ClN2O
CAS Number:
Molecular Weight:
420.97
Beilstein:
5421832
EC Number:
MDL number:
UNSPSC Code:
12352005
PubChem Substance ID:
grade
purum
Assay
≥98.0% (AT)
optical activity
[α]20/D −188±3°, c = 0.4% in H2O
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-IOPLZPHGSA-M
Other Notes
Chiral phase transfer catalyst ; resolutions by crystallization of the inclusion complex
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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C.M. Gasparski, M.J. Miller
Tetrahedron, 47, 5367-5367 (1991)
S. Julia et al.
Journal of the Chemical Society. Perkin Transactions 1, 574-574 (1981)
J.H. Zhang et al.
Tetrahedron Asymmetry, 13, 1363-1363 (2002)
F Toda et al.
The Journal of Organic Chemistry, 59, 5748-5748 (1994)
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