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1740-57-4,MFCD00014801
Catalog No.:AA001ZBE

1740-57-4 | Isophthalamide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$24.00   $17.00
- +
5g
96%
in stock  
$54.00   $38.00
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25g
>97.0%(N)
in stock  
$102.00   $72.00
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100g
96%
in stock  
$311.00   $218.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA001ZBE
Chemical Name:
Isophthalamide
CAS Number:
1740-57-4
Molecular Formula:
C8H8N2O2
Molecular Weight:
164.1613
MDL Number:
MFCD00014801
SMILES:
NC(=O)c1cccc(c1)C(=O)N
Properties
Properties
 
BP:
430.8°C at 760 mmHg  
Form:
Solid  
MP:
268-270°C  
Refractive Index:
1.6000 (estimate)  
Storage:
Room Temperature;  

Computed Properties
 
Complexity:
183  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
-0.2  

Downstream Synthesis Route

[1]Campbell,JacquelineA.;McDougald,Graham;McNab,Hamish;Rees,LovatV.C.;Tyas,RichardG.[Synthesis,2007,#20,p.3179-3184]

[2]Beyer[JournalfurpraktischeChemie(Leipzig1954),1880,vol.<2>22,p.352][JournalfuerPraktischeChemie(Leipzig),1882,vol.<2>25,p.470]

[3]CurrentPatentAssignee:CHINAPETROCHEMICALCORPORATION-CN105001032,2018,BLocationinpatent:Paragraph0135;0136;0137;0142;0143

[1]ChemischeBerichte,1965,vol.98,p.2966-2984

[1]Katritzky;Pilarski;Urogdi[Synthesis,1989,#12,p.949-951]

[2]Bolyog-Nagy,Evelin;Udvardy,Antal;Joó,Ferenc;Kathó,Ágnes[TetrahedronLetters,2014,vol.55,#26,p.3615-3617]

[3]CurrentPatentAssignee:SHANDONGXINGQIANGCHEMICALINDUSTRYTECHRESEARCHINSTITUTE;QINGDAOUNIVERSITYOFSCIENCEANDTECHNOLOGY-CN112142615,2020,ALocationinpatent:Paragraph0014-0027

[4]Locationinpatent:schemeortableLiu,Yong-Mei;He,Lin;Wang,Miao-Miao;Cao,Yong;He,He-Yong;Fan,Kang-Nian[ChemSusChem,2012,vol.5,#8,p.1392-1396]

[5]Locationinpatent:experimentalpartGarcía-Garrido,SergioE.;Francos,Javier;Cadierno,Victorio;Basset,Jean-Marie;Polshettiwar,Vivek[ChemSusChem,2011,vol.4,#1,p.104-111]

[6]Verma,PraveenKumar;Sharma,Upendra;Bala,Manju;Kumar,Neeraj;Singh,Bikram[RSCAdvances,2013,vol.3,#3,p.895-899]

[7]Naka,Hiroshi;Naraoka,Asuka[Synlett,2019,vol.30,#17,p.1977-1980]

[8]Zhang,Sicheng;Xu,Haosheng;Lou,Chenlin;Senan,AhmedM.;Chen,Zhuqi;Yin,Guochuan[EuropeanJournalofOrganicChemistry,2017,vol.2017,#14,p.1870-1875]

[9]Ramon,RubenS.;Marion,Nicolas;Nolan,StevenP.[Chemistry-AEuropeanJournal,2009,vol.15,#35,p.8695-8697]

[10]Tomás-Mendivil,Eder;Francos,Javier;González-Fernández,Rebeca;González-Liste,PedroJ.;Borge,Javier;Cadierno,Victorio[DaltonTransactions,2016,vol.45,#34,p.13590-13603]

[11]Sun,Yajun;Jin,Weiwei;Liu,Chenjiang[Molecules,2019,vol.24,#21]

[12]Kumar,Sandeep;Das,Pralay[NewJournalofChemistry,2013,vol.37,#10,p.2987-2990]

[13]Wang,Bingxiang;Zhang,Xucchun;Li,Jun;Jiang,Xin;Hu,Yuefei;Hua,Hongwen[JournaloftheChemicalSociety.PerkintransactionsI,1999,#11,p.1571-1579]

[14]Xin,Xiaoqing;Xiang,Dexuan;Yang,Jiming;Zhang,Qian;Zhou,Fenguo;Dong,Dewen[JournalofOrganicChemistry,2013,vol.78,#23,p.11956-11961]

[15]Kornblum,N.;Singaram,S.[JournalofOrganicChemistry,1979,vol.44,p.4727-4729]

[16]CurrentPatentAssignee:QINGDAOUNIVERSITYOFSCIENCEANDTECHNOLOGY;SHANDONGXINGQIANGCHEMICALINDUSTRYTECHRESEARCHINSTITUTE-CN112279773,2021,ALocationinpatent:Paragraph0018-0019;0022-0023;0026-0027;0030-0031;0034

[17]CurrentPatentAssignee:SHANDONGXINGQIANGCHEMICALINDUSTRYTECHRESEARCHINSTITUTE;QINGDAOUNIVERSITYOFSCIENCEANDTECHNOLOGY-CN112300009,2021,ALocationinpatent:Paragraph0006;0016;0017;0019;0020;0022;0023;0025

[1]Kim,Hong-Seok;Kwon,II-Chun;Choi,Jun-Hyeak[JournalofHeterocyclicChemistry,1999,vol.36,#5,p.1285-1289]

[1]JournalofMolecularStructure,2000,vol.554,p.211-223

Literature

Title: Anion complexation and transport by isophthalamide and dipicolinamide derivatives: DNA plasmid transformation in E. coli.

Journal: Journal of the American Chemical Society 20120822

Title: New H-bonding patterns in biphenyl-based synthetic lectins; pyrrolediamine bridges enhance glucose-selectivity.

Journal: Organic & biomolecular chemistry 20120814

Title: Ion-pair recognition by a heteroditopic triazole-containing receptor.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20120514

Title: Binding of group 15 and group 16 oxides by a concave host containing an isophthalamide unit.

Journal: Beilstein journal of organic chemistry 20120101

Title: N,N'-Bis(2,5-dichloro-phen-yl)isophthalamide.

Journal: Acta crystallographica. Section E, Structure reports online 20110901

Title: From anion receptors to transporters.

Journal: Accounts of chemical research 20110315

Title: Macrocycle breathing in [2]rotaxanes with tetralactam macrocycles.

Journal: The Journal of organic chemistry 20110121

Title: Protein surface recognition using geometrically pure Ru(II) tris(bipyridine) derivatives.

Journal: Chemical communications (Cambridge, England) 20110107

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Design and synthesis of 1,4-dihydropyridine derivatives as BACE-1 inhibitors.

Journal: European journal of medicinal chemistry 20100601

Title: Anion-assisted complexation of paraquat by cryptands based on bis(m-phenylene)-[32]crown-10.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20100525

Title: Organic nanotubes assembled from isophthalamides and their application as templates to fabricate Pt nanotubes.

Journal: Chemical communications (Cambridge, England) 20090728

Title: Anion recognition by a macrobicycle based on a tetraoxadiaza macrocycle and an isophthalamide head unit.

Journal: The Journal of organic chemistry 20090703

Title: Interlocked host anion recognition by an indolocarbazole-containing [2]rotaxane.

Journal: Journal of the American Chemical Society 20090408

Title: Predicting efficient antenna ligands for Tb(III) emission.

Journal: Inorganic chemistry 20090119

Title: Discovery of an orally efficaceous 4-phenoxypyrrolidine-based BACE-1 inhibitor.

Journal: Bioorganic & medicinal chemistry letters 20080101

Title: Self-assembly of fluorescent inclusion complexes in competitive media including the interior of living cells.

Journal: Journal of the American Chemical Society 20071205

Title: Potent and selective isophthalamide S2 hydroxyethylamine inhibitors of BACE1.

Journal: Bioorganic & medicinal chemistry letters 20070615

Title: Design, synthesis, and X-ray structure of potent memapsin 2 (beta-secretase) inhibitors with isophthalamide derivatives as the P2-P3-ligands.

Journal: Journal of medicinal chemistry 20070517

Title: Conformational control of HCl co-transporter: imidazole functionalised isophthalamide vs. 2,6-dicarboxamidopyridine.

Journal: Chemical communications (Cambridge, England) 20070507

Title: Strong stacking between FH--N hydrogen-bonded foldamers and fullerenes: formation of supramolecular nano networks.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20070101

Title: Frequency analysis of amide-linked rotaxane mimetics.

Journal: The journal of physical chemistry. A 20061130

Title: Anion binding versus intramolecular hydrogen bonding in neutral macrocyclic amides.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20061010

Title: Design, synthesis, and evaluation of Leu*Ala hydroxyethylene-based non-peptide beta-secretase (BACE) inhibitors.

Journal: Bioorganic & medicinal chemistry 20060701

Title: Structural and molecular recognition studies with acyclic anion receptors.

Journal: Accounts of chemical research 20060701

Title: Anion-templated assembly of [2]rotaxanes.

Journal: Organic & biomolecular chemistry 20060421

Title: Modulation of cell membrane disruption by pH-responsive pseudo-peptides through grafting with hydrophilic side chains.

Journal: Journal of controlled release : official journal of the Controlled Release Society 20051102

Title: 'Twisted' isophthalamide analogues.

Journal: Chemical communications (Cambridge, England) 20050214

Title: Molecular dynamics study of 2rotaxanes: influence of solvation and cation on co-conformation.

Journal: The Journal of organic chemistry 20030613

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