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690384

N-[3,5-Bis(trifluoromethyl)phenyl]-N′-[(8a,9S)-10,11-dihydro-6′-methoxy-9-cinchonanyl]thiourea

90%

Synonym(s):

1-[3,5-Bis(trifluoromethyl)phenyl)-3-{(S)[(2S,4S,5R)-5-ethyl-1-aza-bicyclo[2.2.2]oct-2-yl]-(6-methoxy-4-quinolinyl)methyl}thiourea, epi-N-Dihydroquinyl-N′-bis(3,5-trifluoromethyl)phenylthiourea

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Pack SizeSKUAvailabilityPrice
250 mg
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$220.00

About This Item

Empirical Formula (Hill Notation):
C29H30F6N4OS
CAS Number:
852913-19-0
Molecular Weight:
596.63
NACRES:
NA.22
PubChem Substance ID:
329761334
UNSPSC Code:
12352005
MDL number:
MFCD16875669

$220.00

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Quality Level

100

assay

≥89.0% (HPLC), 90%

form

lumps

optical activity

[α]/D -107.0±5.0°, c = 1 in chloroform

functional group

amine, fluoro, thiourea

SMILES string

CC[C@H]1CN2CCC1CC2[C@@H](NC(=S)Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F)c4ccnc5ccc(OC)cc45

InChI

1S/C29H30F6N4OS/c1-3-16-15-39-9-7-17(16)10-25(39)26(22-6-8-36-24-5-4-21(40-2)14-23(22)24)38-27(41)37-20-12-18(28(30,31)32)11-19(13-20)29(33,34)35/h4-6,8,11-14,16-17,25-26H,3,7,9-10,15H2,1-2H3,(H2,37,38,41)/t16-,17-,25-,26-/m0/s1

InChI key

KBYUJTLQXUVPQI-FRSFCCSCSA-N

Application

Highly enantioselective conjugate addition of nitromethane to chalcones using bifunctional cinchona organocatalysts[1][2]

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

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This Item
690481670960677019
N-[3,5-Bis(trifluoromethyl)phenyl]-N′-[(8a,9S)-10,11-dihydro-6′-methoxy-9-cinchonanyl]thiourea 90%

Sigma-Aldrich

690384

N-[3,5-Bis(trifluoromethyl)phenyl]-N′-[(8a,9S)-10,11-dihydro-6′-methoxy-9-cinchonanyl]thiourea

N-[3,5-Bis(trifluoromethyl)phenyl]-N′-[(8a,9S)-6′-methoxy-9-cinchonanyl]thiourea 90%

Sigma-Aldrich

690481

N-[3,5-Bis(trifluoromethyl)phenyl]-N′-[(8a,9S)-6′-methoxy-9-cinchonanyl]thiourea

(S)-α,α-Bis[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidinemethanol ≥99.0%

Sigma-Aldrich

670960

(S)-α,α-Bis[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidinemethanol

(S)-α,α-Bis[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidinemethanol trimethylsilyl ether 97%

Sigma-Aldrich

677019

(S)-α,α-Bis[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidinemethanol trimethylsilyl ether

assay

≥89.0% (HPLC), 90%

assay

≥89.0%, 90%

assay

≥99.0% (HPLC)

assay

97%

functional group

amine, thiourea, fluoro

functional group

amine, fluoro, thiourea

functional group

fluoro, hydroxyl

functional group

fluoro

form

lumps

form

lumps

form

-

form

-

Quality Level

100

Quality Level

100

Quality Level

200

Quality Level

100

optical activity

[α]/D -107.0±5.0°, c = 1 in chloroform

optical activity

-

optical activity

-

optical activity

-

pictograms

Skull and crossbones
GHS06

signalword

Danger

hcodes

H301

Hazard Classifications

Acute Tox. 3 Oral

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

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Certificates of Analysis (COA)

Lot/Batch Number
BCCN1482
BCCM1684
BCCH4246
BCCC6520
BCBX7551

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Urea- and thiourea-substituted cinchona alkaloid derivatives as highly efficient bifunctional organocatalysts for the asymmetric addition of malonate to nitroalkenes: inversion of configuration at C9 dramatically improves catalyst performance.
Séamus H McCooey et al.
Angewandte Chemie (International ed. in English), 44(39), 6367-6370 (2005-09-02)
Benedek Vakulya et al.
Organic letters, 7(10), 1967-1969 (2005-05-07)
Cinchona alkaloid-derived chiral bifunctional thiourea organocatalysts were synthesized and applied in the Michael addition between nitromethane and chalcones with high ee and chemical yields.

Global Trade Item Number

SKUGTIN
690384-250MG04061833239179

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