CAS 102-96-5 | Benzene, (2-nitroethenyl)- | CAS Number 102-96-5

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102-96-5 | Benzene, (2-nitroethenyl)-

CAS No: 102-96-5 Catalog No: AG000696 MDL No:MFCD00007402

Product Description

Catalog Number:

AG000696

Chemical Name:

Benzene, (2-nitroethenyl)-

CAS Number:

102-96-5

Molecular Formula:

C8H7NO2

Molecular Weight:

149.1467

MDL Number:

MFCD00007402

IUPAC Name:

[(E)-2-nitroethenyl]benzene

InChI:

InChI=1S/C8H7NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+

InChI Key:

PIAOLBVUVDXHHL-VOTSOKGWSA-N

SMILES:

[O-][N+](=O)C=Cc1ccccc1

EC Number:

203-066-0

UNII:

5287E3OUAV

NSC Number:

9809

Properties

Complexity:

154

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

149.048g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

149.149g/mol

Monoisotopic Mass:

149.048g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

45.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1

Literature

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Pyrrolidine based chiral organocatalyst for efficient asymmetric Michael addition of cyclic ketones to β-nitrostyrenes.	Bioorganic & medicinal chemistry letters 20120701
(S)-Proline-catalyzed nitro-Michael reactions: towards a better understanding of the catalytic mechanism and enantioselectivity.	Organic & biomolecular chemistry 20120428
Catalytic asymmetric intermolecular Stetter reactions of enolizable aldehydes with nitrostyrenes: computational study provides insight into the success of the catalyst.	Angewandte Chemie (International ed. in English) 20120305
Bridging between organocatalysis and biocatalysis: asymmetric addition of acetaldehyde to β-nitrostyrenes catalyzed by a promiscuous proline-based tautomerase.	Angewandte Chemie (International ed. in English) 20120127
A one-pot synthesis of 7-phenylindolo[3,2-a]carbazoles from indoles and β-nitrostyrenes, via an unprecedented reaction sequence.	Organic & biomolecular chemistry 20111026
Sequential catalytic role of bifunctional bicyclic guanidine in asymmetric phospha-Michael reaction.	Organic & biomolecular chemistry 20110621
Radiosynthesis and biodistribution of a prosthetic group (¹⁸F-FENMA) conjugated to cyclic RGD peptides.	Bioconjugate chemistry 20101215
The synthesis and biologic evaluation of anti-platelet and cytotoxic β-nitrostyrenes.	Bioorganic & medicinal chemistry 20101101
K3PO4-catalyzed regiospecific aminobromination of beta-nitrostyrene derivatives with N-bromoacetamide as aminobrominating agent.	The Journal of organic chemistry 20100319
E-Combretastatin and E-resveratrol structural modifications: antimicrobial and cancer cell growth inhibitory beta-E-nitrostyrenes.	Bioorganic & medicinal chemistry 20090915
Diastereoselective synthesis of beta-substituted-alpha,gamma-diaminobutyric acids and pyrrolidines containing multichiral centers.	The Journal of organic chemistry 20090206
Chiral squaramide derivatives are excellent hydrogen bond donor catalysts.	Journal of the American Chemical Society 20081105
A microscopic technique to study kinetics and concentration-response of drug-induced caspase-3 activation on a single cell level.	Journal of pharmacological and toxicological methods 20080101
Asymmetric Michael reaction of acetaldehyde catalyzed by diphenylprolinol silyl ether.	Angewandte Chemie (International ed. in English) 20080101
Catalytic asymmetric Michael reactions of acetaldehyde.	Angewandte Chemie (International ed. in English) 20080101
Synthesis and biological evaluation of N-acetyl-beta-aryl-1,2-didehydroethylamines as new HIV-1 RT inhibitors in vitro.	Bioorganic & medicinal chemistry letters 20070815
Synthesis and pharmacological evaluation of novel beta-nitrostyrene derivatives as tyrosine kinase inhibitors with potent antiplatelet activity.	Biochemical pharmacology 20070815
Comparison of the rapid pro-apoptotic effect of trans-beta-nitrostyrenes with delayed apoptosis induced by the standard agent 5-fluorouracil in colon cancer cells.	Apoptosis : an international journal on programmed cell death 20070101
Beta-nitrostyrene derivatives as potential antibacterial agents: a structure-property-activity relationship study.	Bioorganic & medicinal chemistry 20060615
trans-Beta-nitrostyrene derivatives as slow-binding inhibitors of protein tyrosine phosphatases.	Biochemistry 20041130
'Inverse-electron-demand' ligand substitution: experimental and computational insights into olefin exchange at palladium(0).	Journal of the American Chemical Society 20041117
Identification of synthetic precursors of amphetamine-like drugs using Raman spectroscopy and ab initio calculations: beta-Methyl-beta-nitrostyrene derivatives.	The Analyst 20041101
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Improved one-pot synthesis of styryl tetrahydrofurans and cyclohexanes by radical addition to beta-nitrostyrenes in the presence of benzoyl peroxide.	Chemistry (Weinheim an der Bergstrasse, Germany) 20030509
The effect of nitrostyrene on cell proliferation and macrophage immune responses.	Immunopharmacology and immunotoxicology 20020501
Synthesis of styrenes through the biocatalytic decarboxylation of trans-cinnamic acids by plant cell cultures.	Chemical & pharmaceutical bulletin 20010501