Home Carboxes 102-14-7
102-14-7,MFCD00029825
Catalog No.:AA000659

102-14-7 | 4-Anilino-4-oxobutanoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$28.00   $20.00
- +
25g
98%
in stock  
$417.00   $292.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA000659
Chemical Name:
4-Anilino-4-oxobutanoic acid
CAS Number:
102-14-7
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
MDL Number:
MFCD00029825
SMILES:
O=C(Nc1ccccc1)CCC(=O)O
NSC Number:
56471
Properties
Properties
 
BP:
329.41°C (rough estimate)  
Form:
Solid  
MP:
144-146°C  
Refractive Index:
1.5300 (estimate)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
209  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
4  
XLogP3:
0.6  

Downstream Synthesis Route

[1]Auwers;Mayer[JustusLiebigsAnnalenderChemie,1899,vol.309,p.326]

[1]Wang,Yuanyuan;Yang,Xiao-Feng;Zhong,Yaogang;Gong,Xueyun;Li,Zheng;Li,Hua[ChemicalScience,2015,vol.7,#1,p.518-524]

[2]Huang,Chusen;Yin,Qin;Meng,Jiangjiang;Zhu,Weiping;Yang,Yi;Qian,Xuhong;Xu,Yufang[Chemistry-AEuropeanJournal,2013,vol.19,#24,p.7739-7747]

[3]CurrentPatentAssignee:CHINAPHARMACEUTICALUNIVERSITY-CN113549076,2021,ALocationinpatent:Paragraph0098-0100

[4]Cai,Xuekang;Zhang,Jia;Lu,Jiaqi;Yi,Long;Han,Zheng;Zhang,Shuixing;Yang,Xing;Liu,Guanshu[Chemistry-AEuropeanJournal,2020,vol.26,#51,p.11705-11709]

[5]Li,Tong-Shuang;Li,Ai-Xiao[JournaloftheChemicalSociety.PerkintransactionsI,1998,#12,p.1913-1917]

[6]Correa-Basurto,Jose;Flores-Sandoval,Cesar;Marin-Cruz,Jesus;Rojo-Dominguez,Arturo;Espinoza-Fonseca,L.Michel;Trujillo-Ferrara,JoseG.[EuropeanJournalofMedicinalChemistry,2007,vol.42,#1,p.10-19]

[7]Rojas-Oviedo,Irma;Camacho-Camacho,Carlos;Snchez-Snchez,Luis;Crdenas,Jorge;Lpez-Muoz,Hugo;Eugenio-Robledo,Hugo;Velzquez,Israel;AlfredoToscano,Rubn[AppliedOrganometallicChemistry,2014,vol.28,#12,p.884-891]Rojas-Oviedo,Irma;Camacho-Camacho,Carlos;Sánchez-Sánchez,Luis;Cárdenas,Jorge;Lõpez-Muñoz,Hugo;Eugenio-Robledo,Hugo;Velázquez,Israel;Toscano,RubénAlfredo[AppliedOrganometallicChemistry,2014,vol.28,#12,p.884-891]

[8]Naik,Sarala;Bhattacharjya,Gitalee;Talukdar,Bandana;Patel,BhismaK.[EuropeanJournalofOrganicChemistry,2004,#6,p.1254-1260]

[9]Omuaru,V.O.T.[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1998,vol.37,#8,p.814-816]

[10]Kumar,PadamPraveen;RamaDevi;Dubey[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,2013,vol.52,#8,p.1166-1171]

[11]Carvalho,RodrigoR.V.;Peres,TanaraV.;Liria,CleberW.;Machini,M.Teresa;Aschner,Michael;Espósito,BrenoP.[BioMetals,2021,vol.34,#2,p.259-275]

[12]Sun,WonSuck;Park,YoonSun;Yoo,Jakyung;Park,KiDuk;Kim,SungHan;Kim,Jung-Han;Park,Hyun-Ju[JournalofMedicinalChemistry,2003,vol.46,#26,p.5619-5627]

[13]Auwers;Mayer[JustusLiebigsAnnalenderChemie,1899,vol.309,p.326]

[14]Boyd,G.V.;Monteil,R.L.[JournaloftheChemicalSociety.PerkintransactionsI,1978,p.1338-1350]

[15]Verma,RamanK.[JournaloftheIndianChemicalSociety,1992,vol.69,#10,p.683-684]

[16]Reddy;Kondo;Toru;Ueno[JournalofOrganicChemistry,1997,vol.62,#8,p.2652-2654]

[17]Burdulene;Stumbryavichyute;Talaikite;Vladyko;Boreko;Korobchenko[PharmaceuticalChemistryJournal,1996,vol.30,#11,p.680-682]

[18]Trujillo-Ferrara,Jose;Santillan,Rosa;Beltran,HiramI.;Farfan,Norberto;Hoepfl,Herbert[MagneticResonanceinChemistry,1999,vol.37,#9,p.682-686]

[19]Kar,Anirban;Argade,NarshinhaP.[Synthesis,2002,#2,p.221-224]

[20]Zentz,Frederic;Valla,Alain;LeGuillou,Regis;Labia,Roger;Mathot,Anne-Gabrielle;Sirot,Danielle[IlFarmaco,2002,vol.57,#5,p.421-426]

[21]Locationinpatent:experimentalpartRad-Moghadam,Kurosh;Kheyrkhah,Leila[SyntheticCommunications,2009,vol.39,#12,p.2108-2115]

[22]Locationinpatent:experimentalpartMatuszak,Nicolas;Muccioli,GiulioG.;Labar,Geoffray;Lambert,DidierM.[JournalofMedicinalChemistry,2009,vol.52,#23,p.7410-7420]

[23]Locationinpatent:schemeortableJha,Amitabh;Mukherjee,Chandrani;Prasad,AshokK.;Parmar,VirinderS.;Vadaparti,Manjula;Das,Umashankar;DeClercq,Erik;Balzarini,Jan;Stables,JamesP.;Shrivastav,Anuraag;Sharma,RajendraK.;Dimmock,JonathanR.[BioorganicandMedicinalChemistryLetters,2010,vol.20,#5,p.1510-1515]

[24]Locationinpatent:schemeortableLee,HyeSun;Yu,JiSook;Lee,ChangKiu[MagneticResonanceinChemistry,2009,vol.47,#9,p.711-715]

[25]Locationinpatent:experimentalpartSortino;Garibotto;CechinelFilho;Gupta;Enriz;Zacchino[BioorganicandMedicinalChemistry,2011,vol.19,#9,p.2823-2834]

[26]Patil,SambhajiV.;Mahale,KeshaoA.;Gosavi,KirankumarS.;Deshmukh,GaneshB.;Patil,NileshS.[OrganicPreparationsandProceduresInternational,2013,vol.45,#4,p.314-320]

[27]Kumar,PadamPraveen;Reddy,Y.Dathu;Kumari,Y.Bharathi;Devi,B.Rama;Dubey[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,2014,vol.53,#4,p.392-398]

[28]Garad,DnyaneshwarN.;Tanpure,SubhashD.;Mhaske,SantoshB.[BeilsteinJournalofOrganicChemistry,2015,vol.11,p.1008-1016]

[29]Butt,ArshadFarooq;Ahmed,MuhammadNaeem;Bhatti,MoazzamHussain;Choudhary,MuhammadAziz;Ayub,Khurshid;Tahir,MuhammadNawaz;Mahmood,Tariq[JournalofMolecularStructure,2019,vol.1191,p.291-300]

[30]Bai,Ya;Shi,Lingling;Zheng,Lianyou;Ning,Shulin;Che,Xin;Zhang,Zhuoqi;Xiang,Jinbao[OrganicLetters,2021,vol.23,#6,p.2298-2302]

[31]Ma,Yingying;Yang,Xiaorong;Han,Hongwei;Wen,Zhongling;Yang,Minkai;Zhang,Yahan;Fu,Jiangyan;Wang,Xuan;Yin,Tongming;Lu,Guihua;Qi,Jinliang;Lin,Hongyan;Wang,Xiaoming;Yang,Yonghua[BioorganicChemistry,2021,vol.111]

[1]Dunlap[AmericanChemicalJournal,1899,vol.21,p.529]

[1]Dunlap[AmericanChemicalJournal,1899,vol.21,p.529]

[1]Laurent;Gerhardt[JustusLiebigsAnnalenderChemie,1848,vol.68,p.27]

[2]Menschutkin[JustusLiebigsAnnalenderChemie,1872,vol.162,p.166]

[3]Menschutkin[JustusLiebigsAnnalenderChemie,1872,vol.162,p.166]

[4]Menschutkin[JustusLiebigsAnnalenderChemie,1872,vol.162,p.166]

Literature

Title: N-Phenyl-succinamic acid.

Journal: Acta crystallographica. Section E, Structure reports online 20110201

Title: Interpreting clinical assays for histone deacetylase inhibitors.

Journal: Cancer management and research 20110101

Title: Targeting histone deacetyalses in the treatment of B- and T-cell malignancies.

Journal: Investigational new drugs 20101201

Title: Derivatives of aryl amines containing the cytotoxic 1,4-dioxo-2-butenyl pharmacophore.

Journal: Bioorganic & medicinal chemistry letters 20100301

Title: Stability studies of vorinostat and its two metabolites in human plasma, serum and urine.

Journal: Journal of pharmaceutical and biomedical analysis 20061116

Title: A liquid chromatography-electrospray ionization tandem mass spectrometric assay for quantitation of the histone deacetylase inhibitor, vorinostat (suberoylanilide hydroxamicacid, SAHA), and its metabolites in human serum.

Journal: Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20060818

Title: High turbulence liquid chromatography online extraction and tandem mass spectrometry for the simultaneous determination of suberoylanilide hydroxamic acid and its two metabolites in human serum.

Journal: Rapid communications in mass spectrometry : RCM 20050101

Title: Rational design of an indolebutanoic acid derivative as a novel aldose reductase inhibitor based on docking and 3D QSAR studies of phenethylamine derivatives.

Journal: Journal of medicinal chemistry 20031218

Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Country:
Additional Info:
SDS
Tags:102-14-7 Molecular Formula|102-14-7 MDL|102-14-7 SMILES|102-14-7 4-Anilino-4-oxobutanoic acid