153775-42-9 | 4-Cyano-3-nitrobenzoic acid

Packsize	Purity	Availability	Price	Discounted Price
250mg	98%	in stock	$6.00	$5.00
1g	98%	in stock	$10.00	$7.00
5g	98%	in stock	$44.00	$31.00
25g	98%	in stock	$115.00	$81.00

Description

• Catalog Number: AF00300
• Chemical Name: 4-Cyano-3-nitrobenzoic acid
• CAS Number: 153775-42-9
• Molecular Formula: C8H4N2O4
• Molecular Weight: 192.1284
• MDL Number: MFCD16876894
• SMILES: N#Cc1ccc(cc1[N+](=O)[O-])C(=O)O

Computed Properties

• Complexity: 300
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 1.5

Literature

• Direct generation of acyclic polypropionate stereopolyads via double diastereo- and enantioselective iridium-catalyzed crotylation of 1,3-diols: beyond stepwise carbonyl addition in polyketide construction.

  Journal of the American Chemical Society 20110817

• Enhanced anti-diastereo- and enantioselectivity in alcohol-mediated carbonyl crotylation using an isolable single component iridium catalyst.

  The Journal of organic chemistry 20110401

• Iridium-catalyzed anti-diastereo- and enantioselective carbonyl (trimethylsilyl)allylation from the alcohol or aldehyde oxidation level.

  Journal of the American Chemical Society 20100707

• anti-Diastereo- and enantioselective carbonyl (hydroxymethyl)allylation from the alcohol or aldehyde oxidation level: allyl carbonates as allylmetal surrogates.

  Journal of the American Chemical Society 20100407

• Diastereo- and enantioselective anti-alkoxyallylation employing allylic gem-dicarboxylates as allyl donors via iridium-catalyzed transfer hydrogenation.

  Journal of the American Chemical Society 20100217

• anti-Diastereo- and enantioselective carbonyl crotylation from the alcohol or aldehyde oxidation level employing a cyclometallated iridium catalyst: alpha-methyl allyl acetate as a surrogate to preformed crotylmetal reagents.

  Journal of the American Chemical Society 20090225