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N-[3,5-Bis(trifluoromethyl)phenyl]-N′-[(8a,9S)-10,11-dihydro-6′-methoxy-9-cinchonanyl]thiourea_Molecular_structure_CAS_852913-19-0)
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N-[3,5-Bis(trifluoromethyl)phenyl]-N′-[(8a,9S)-10,11-dihydro-6′-methoxy-9-cinchonanyl]thiourea

Catalog No. 690384 Name Sigma Aldrich
CAS Number 852913-19-0 Website http://www.sigmaaldrich.com
M. F. C29H30F6N4OS Telephone 1-800-521-8956
M. W. 596.6301192 Fax
Purity ≥89.0% (HPLC) Email
Storage Chembase ID: 141623

SYNONYMS

Title
N-[3,5-双(三氟甲基)苯基]-N′-[(8a,9S)-10,11-二氢-6′-甲氧基-9-金鸡宁]硫脲
IUPAC name
1-[3,5-bis(trifluoromethyl)phenyl]-3-[(S)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methyl]thiourea
IUPAC Traditional name
1-[3,5-bis(trifluoromethyl)phenyl]-3-[(S)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methyl]thiourea
Synonyms
1-[3,5-双(三氟甲基)苯基)-3-{(S)[(2S,4S,5R)-5-乙基-1-氮杂-二环[2.2.2]辛-2-基]-(6-甲氧基-4-喹啉基)甲基}硫脲
epi-N-二氢喹啉基-N′-双(3,5-三氟甲基)苯硫脲
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

DATABASE IDS

CAS Number 852913-19-0
MDL Number MFCD16875669

PROPERTIES

Empirical Formula (Hill Notation) C29H30F6N4OS
Purity ≥89.0% (HPLC)
Purity 90%
Optical Rotation [α]/D -120.0±5.0°, c = 1 in chloroform
GHS Pictograms GHS06
GHS Signal Word Danger
GHS Hazard statements H301
European Hazard Symbols Toxic Toxic (T)
MSDS Link Download
Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
GHS Precautionary statements P301 + P310
Risk Statements 25
Safety Statements 45
German water hazard class 3

DETAILS

Description (English)
Application
Highly enantioselective conjugate addition of nitromethane to chalcones using bifunctional cinchona organocatalysts1,2
Packaging
250 mg in glass bottle
Description (简体中文)
Application
采用双官能金鸡纳有机催化剂,进行硝基甲烷的高度对映选择性共轭加成反应,生成查耳酮1,2
包装
250 mg in glass bottle

REFERENCES