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About This Item
Empirical Formula (Hill Notation):
C31H30O4
CAS Number:
Molecular Weight:
466.57
UNSPSC Code:
12352005
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
3657855
Quality Level
assay
97%
optical activity
[α]19/D −62.6°, c = 1 in chloroform
mp
193-195 °C (lit.)
functional group
ether, hydroxyl, ketal, phenyl
SMILES string
CC1(C)O[C@H]([C@@H](O1)C(O)(c2ccccc2)c3ccccc3)C(O)(c4ccccc4)c5ccccc5
InChI
1S/C31H30O4/c1-29(2)34-27(30(32,23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(35-29)31(33,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27-28,32-33H,1-2H3/t27-,28-/m1/s1
InChI key
OWVIRVJQDVCGQX-VSGBNLITSA-N
Application
Hydrogen-bonding organocatalyst examined in terms of acidity, deprotonation enthalpies and hydrogen bonding
Catalyst involved in synthesis of cyclopropylamines via addition reactions of Grignard reagents to amides
Reactant or reagent involved in:
Catalyst involved in synthesis of cyclopropylamines via addition reactions of Grignard reagents to amides
Reactant or reagent involved in:
- Enantioswitching of catalytic asymmetric hydroboration
- Synthesis of derivative ligands for asymmetric hydroformylation of alkenes
- Amide-directed catalytic asymmetric hydroboration of trisubstituted alkenes
- Addition of deactivated alkyl Grignard reagents to aldehydes
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
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Jung-Shen B Tai et al.
Physical review. E, 101(4-1), 042702-042702 (2020-05-20)
Chiral condensed matter systems, such as liquid crystals and magnets, exhibit a host of spatially localized topological structures that emerge from the medium's tendency to twist and its competition with confinement and field coupling effects. We show that the strength
Jung-Shen B Tai et al.
Science (New York, N.Y.), 365(6460), 1449-1453 (2019-10-12)
Starting with Gauss and Kelvin, knots in fields were postulated to behave like particles, but experimentally they were found only as transient features or required complex boundary conditions to exist and could not self-assemble into three-dimensional crystals. We introduce energetically