Home Other Building Blocks Isoindoline

Isoindoline

CAS No.:
496-12-8
Catalog Number:
AG003R3V
Molecular Formula:
C8H9N
Molecular Weight:
119.1638
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$75
- +
5g
95%
In Stock USA
United States
$188
- +
10g
95%
In Stock USA
United States
$269
- +
25g
95%
In Stock USA
United States
$525
- +
Product Description
Catalog Number:
AG003R3V
Chemical Name:
Isoindoline
CAS Number:
496-12-8
Molecular Formula:
C8H9N
Molecular Weight:
119.1638
MDL Number:
MFCD00605324
IUPAC Name:
2,3-dihydro-1H-isoindole
InChI:
InChI=1S/C8H9N/c1-2-4-8-6-9-5-7(8)3-1/h1-4,9H,5-6H2
InChI Key:
GWVMLCQWXVFZCN-UHFFFAOYSA-N
SMILES:
N1Cc2c(C1)cccc2
Properties
Complexity:
88.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
119.073g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
119.167g/mol
Monoisotopic Mass:
119.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Sulfonate pseudohalides of boron subphthalocyanine. Acta crystallographica. Section C, Crystal structure communications 20121101
N-(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl)-4,4''-difluoro-5'-hy-droxy-1,1':3',1''-terphenyl-4'-carboxamide. Acta crystallographica. Section E, Structure reports online 20120901
Computational design of cyclic nitroxides as efficient redox mediators for dye-sensitized solar cells. Chemistry (Weinheim an der Bergstrasse, Germany) 20120611
2-Benzyl-3-hy-droxy-3-methyl-2,3-dihydro-1H-isoindol-1-one. Acta crystallographica. Section E, Structure reports online 20120601
Rhodium-catalyzed synthesis of branched amines by direct addition of benzamides to imines. Organic letters 20120504
Synthesis of the HCV protease inhibitor Vaniprevir (MK-7009) using ring-closing metathesis strategy. The Journal of organic chemistry 20120420
Dynamic kinetic resolution of 1,3-dihydro-2H-isoindole-1-carboxylic acid methyl ester: asymmetric transformations toward isoindoline carbamates. Organic letters 20120406
Synthesis of a unique isoindoline/tetrahydroisoquinoline-based tricyclic sultam library utilizing a Heck-aza-Michael strategy. ACS combinatorial science 20120312
1,1,3,3-Tetra-ethyl-isoindolin-2-ium chloride. Acta crystallographica. Section E, Structure reports online 20120301
2-[(E)-(2-Hy-droxy-naphthalen-1-yl)methyl-idene-amino]-isoindoline-1,3-dione. Acta crystallographica. Section E, Structure reports online 20111201
(E)-2-[(2-Chloro-benzyl-idene)amino]-isoindoline-1,3-dione. Acta crystallographica. Section E, Structure reports online 20111201
Structure-activity relationship studies on isoindoline inhibitors of dipeptidyl peptidases 8 and 9 (DPP8, DPP9): is DPP8-selectivity an attainable goal? Journal of medicinal chemistry 20110825
1,3-Bis[3-(1,3-dioxoisoindolin-2-yl)prop-yl]-1H-anthra[1,2-d]imidazole-2,6,11(3H)-trione. Acta crystallographica. Section E, Structure reports online 20110801
2-[(E)-(2,4-Dichloro-benzyl-idene)amino]-isoindoline-1,3-dione. Acta crystallographica. Section E, Structure reports online 20110701
Discovery of isoindoline and tetrahydroisoquinoline derivatives as potent, selective PPARδ agonists. Bioorganic & medicinal chemistry letters 20110101
Structural determination of three different series of compounds as Hsp90 inhibitors using 3D-QSAR modeling, molecular docking and molecular dynamics methods. International journal of molecular sciences 20110101
Synthesis and pharmacological characterization of potent, selective, and orally bioavailable isoindoline class dipeptidyl peptidase IV inhibitors. Organic and medicinal chemistry letters 20110101
2-{[(E)-2-Hy-droxy-benzyl-idene]amino}-1H-isoindole-1,3(2H)-dione. Acta crystallographica. Section E, Structure reports online 20101101
Side reactions of nitroxide-mediated polymerization: N-O versus O-C cleavage of alkoxyamines. The journal of physical chemistry. A 20100930
4,5,6,7-Tetra-chloro-2-(2,2,2-trifluoro-eth-yl)isoindoline-1,3-dione. Acta crystallographica. Section E, Structure reports online 20100701
Rearrangements and intramolecular Diels-Alder reactions of normal and vinylogous aza-Morita-Baylis-Hillman products leading to isoindoline derivatives. The Journal of organic chemistry 20100604
2-{[(4-Methoxy-phen-yl)dimethyl-silyl]meth-yl}isoindoline-1,3-dione. Acta crystallographica. Section E, Structure reports online 20100101
Does the sedative agent, JM-1232(-) cause QT prolongation with subsequent torsades de pointes? Life sciences 20091118
2-(1,3-Dioxoisoindolin-2-yl)propanoic acid. Acta crystallographica. Section E, Structure reports online 20091101
1,2-Bis(bromo-meth-yl)-4,5-dimethoxy-benzene. Acta crystallographica. Section E, Structure reports online 20090901
2-[2-(2-Pyrid-yl)eth-yl]isoindolinium perchlorate. Acta crystallographica. Section E, Structure reports online 20090901
2-[2-(Methyl-sulfon-yl)eth-yl]isoindoline-1,3-dione. Acta crystallographica. Section E, Structure reports online 20090801
The shivering threshold in rabbits with JM-1232(-), a new benzodiazepine receptor agonist. Anesthesia and analgesia 20090701
3',6'-Bis(diethyl-amino)-2-phenyl-spiro[isoindoline-1,9'-xanthen]-3-one. Acta crystallographica. Section E, Structure reports online 20090701
The antinociceptive effects and pharmacological properties of JM-1232(-): a novel isoindoline derivative. Anesthesia and analgesia 20090301
Bishydrazide derivatives of isoindoline as simple anion receptors. The Journal of organic chemistry 20090220
N-Benzyl-1-heteroaryl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamides as inhibitors of co-activator associated arginine methyltransferase 1 (CARM1). Bioorganic & medicinal chemistry letters 20090215
1,3-Di-1-adamantylimidazolium (phthalocyaninato)lithium(I) acetone hemisolvate monohydrate. Acta crystallographica. Section E, Structure reports online 20090101
Experimental and theoretical studies of the redox potentials of cyclic nitroxides. The Journal of organic chemistry 20080905
Inhibitors of dipeptidyl peptidase 8 and dipeptidyl peptidase 9. Part 2: isoindoline containing inhibitors. Bioorganic & medicinal chemistry letters 20080715
Interplay of hydrogenation and dehydrogenation in isoindoline and indoline isomers: a density functional theory study. The journal of physical chemistry. A 20080612
Synthesis of 5,15-diaryltetrabenzoporphyrins. The Journal of organic chemistry 20080606
5,6-Dichloro-2-(3-methoxy-phen-yl)isoindoline-1,3-dione. Acta crystallographica. Section E, Structure reports online 20080501
5,6-Dichloro-2-(2-fluoro-phen-yl)iso-indoline-1,3-dione. Acta crystallographica. Section E, Structure reports online 20080501
Raman identification of yellow synthetic organic pigments in modern and contemporary paintings: reference spectra and case studies. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20080201
2-(4-Amino-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-ylmeth-yl)isoindoline-1,3-dione. Acta crystallographica. Section E, Structure reports online 20080201
Microwave-mediated nickel-catalyzed cyclotrimerization reactions: total synthesis of illudinine. The Journal of organic chemistry 20080104
Asymmetric Brønsted acid catalyzed isoindoline synthesis: enhancement of enantiomeric ratio by stereoablative kinetic resolution. Angewandte Chemie (International ed. in English) 20080101
Crystal structures of the FAK kinase in complex with TAE226 and related bis-anilino pyrimidine inhibitors reveal a helical DFG conformation. PloS one 20080101
Bis[1,3-bis-(diphenyl-phosphinoylimino)isoindolinato-κO,N,O']calcium(II). Acta crystallographica. Section E, Structure reports online 20080101
One-electron oxidation and reduction potentials of nitroxide antioxidants: a theoretical study. The journal of physical chemistry. A 20071227
Formation of 4,5,6,7-tetrahydroisoindoles by palladium-catalyzed hydride reduction. The Journal of organic chemistry 20071123
Isothiazoloquinolones with enhanced antistaphylococcal activities against multidrug-resistant strains: effects of structural modifications at the 6-, 7-, and 8-positions. Journal of medicinal chemistry 20070125
Patented small molecule inhibitors in the ubiquitin proteasome system. BMC biochemistry 20070101
Size discrimination in the coordination chemistry of an isoindoline pincer ligand with CdII and ZnII. Inorganic chemistry 20060724
Solid-supported [2+2+2] cyclotrimerizations. Chemistry (Weinheim an der Bergstrasse, Germany) 20060717
Synthesis, structure and DNA interaction of cobalt(III) bis-complexes of 1,3-bis(2-pyridylimino)isoindoline and 1,4,7-triazacyclononane. Journal of inorganic biochemistry 20051101
Cd(II), Zn(II), and Pd(II) complexes of an isoindoline pincer ligand: consequences of steric crowding. Inorganic chemistry 20050905
Novel isoindoline compounds for potent and selective inhibition of prolyl dipeptidase DPP8. Bioorganic & medicinal chemistry letters 20050201
Synthesis and biological evaluation of pyrrolo[2,1-c][1,4]benzodiazepine (PBD) C8 cyclic amine conjugates. Bioorganic & medicinal chemistry letters 20040223
Intermolecular, markovnikov hydroamination of vinylarenes with alkylamines. Journal of the American Chemical Society 20031126
Design and synthesis of trans-3-(2-(4-((3-(3-(5-methyl-1,2,4-oxadiazolyl))- phenyl)carboxamido)cyclohexyl)ethyl)-7-methylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine (SB-414796): a potent and selective dopamine D3 receptor antagonist. Journal of medicinal chemistry 20031106
Fluxional behavior of a cadmium zwitterion complex: proton transport and tautomerism in methylene chloride solution. Inorganic chemistry 20030728
A novel isoindoline, porritoxin sulfonic acid, from Alternaria porri and the structure-phytotoxicity correlation of its related compounds. Bioscience, biotechnology, and biochemistry 20030701
Syntheses and structures of isoindoline complexes of Zn(II) and Cu(II): an unexpected trinuclear Zn(II) complex. Inorganic chemistry 20030113
Synthesis and structure-activity relationship of the isoindolinyl benzisoxazolpiperidines as potent, selective, and orally active human dopamine D4 receptor antagonists. Chembiochem : a European journal of chemical biology 20021004
Synthesis and SAR studies for the inhibition of TNF-alpha production. Part 2. 2-[3-(Cyclopentyloxy)-4-methoxyphenyl]-substituted-1-isoindolinone derivatives. Archives of pharmacal research 20020401
[Nickel-catalyzed [2 + 2 + 2] cocyclization and its application to the synthetic organic chemistry]. Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan 20011201
cis-6-Phenyl-4bH,6H,11H,13H-isoindolo[1,2-c]benz[2,4]oxazepin-13-one. Acta crystallographica. Section C, Crystal structure communications 20010601
Properties