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Merck
CN

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:
69257-04-1
Molecular Weight:
420.97
EC Number:
273-938-3
UNSPSC Code:
12352005
PubChem Substance ID:
329750126
Beilstein/REAXYS Number:
5421832
MDL number:
MFCD00082422

Key Documents

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InChI key

FCHYSBWCOKEPNQ-IOPLZPHGSA-M

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

SMILES string

[Cl-].O[C@@H]([C@@H]1C[C@@H]2CC[N+]1(C[C@@H]2C=C)Cc3ccccc3)c4ccnc5ccccc45

grade

purum

assay

≥98.0% (AT)

optical activity

[α]20/D −188±3°, c = 0.4% in H2O

Other Notes

Chiral phase transfer catalyst ; resolutions by crystallization of the inclusion complex

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

Regulatory Information

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S. Julia et al.
Journal of the Chemical Society. Perkin Transactions 1, 574-574 (1981)
C.M. Gasparski, M.J. Miller
Tetrahedron, 47, 5367-5367 (1991)
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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