N26806
trans-β-Nitrostyrene
99%
Synonym(s):
trans-beta-Nitrostyrene, trans-1-Nitro-2-phenylethylene
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All Photos(2)
About This Item
Linear Formula:
C6H5CH=CHNO2
CAS Number:
Molecular Weight:
149.15
Beilstein:
1210066
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Assay
99%
form
crystals
bp
250-260 °C (lit.)
mp
55-58 °C (lit.)
storage temp.
2-8°C
SMILES string
[O-][N+](=O)\C=C\c1ccccc1
InChI
1S/C8H7NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+
InChI key
PIAOLBVUVDXHHL-VOTSOKGWSA-N
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Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
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
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Ellen Zandvoort et al.
Chembiochem : a European journal of chemical biology, 13(13), 1869-1873 (2012-08-02)
Serendipitous switch: While exploring cis-nitrostyrene as a potential electrophile in Michael-type addition reactions catalysed by the enzyme 4-oxalocrotonate tautomerase (4-OT), it was unexpectedly found that 4-OT catalyses the isomerisation of cis-nitrostyrene to trans-nitrostyrene (k(cat) /K(m) = 1.9×10(3) M(-1) s(-1) ).
Hui Yang et al.
Organic & biomolecular chemistry, 10(16), 3229-3235 (2012-03-10)
(S)-Proline-catalyzed nitro-Michael additions of aldehydes and ketones to β-nitrostyrene were investigated computationally (MP2/6-311+G**//M06-2X/6-31G**). Contrary to what is usually assumed in organocatalysis, the lowest-energy transition states of proline-catalyzed nitro-Michael reactions do not necessarily involve the carboxylic acid group of the proline
Jens Martin Werner et al.
Journal of pharmacological and toxicological methods, 57(2), 131-137 (2007-12-19)
Induction of apoptosis is perceived as the main intention of drug regimens for tumour therapy. Thus, the concentration- and time-dependence of drug-induced apoptosis should be carefully evaluated for experimental as well as for standard anti-tumour agents. A main feature of
Kamal Nain Singh et al.
Bioorganic & medicinal chemistry letters, 22(13), 4225-4228 (2012-06-08)
An efficient asymmetric Michael addition of cyclic ketones to β-nitrostyrenes using secondary diamine as an organocatalyst derived from l-proline and (R)-α-methylbenzyl amine has been described. This pyrrolidine based catalyst 1 was found to be very effective to synthesize various γ-nitrocarbonyl
Catalytic asymmetric intermolecular Stetter reactions of enolizable aldehydes with nitrostyrenes: computational study provides insight into the success of the catalyst.
Daniel A DiRocco et al.
Angewandte Chemie (International ed. in English), 51(10), 2391-2394 (2012-01-28)
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