Home Carboxes 4596-39-8
4596-39-8,MFCD00239393
Catalog No.:AA003JWL

4596-39-8 | 4-(2-Chloroacetamido)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$62.00   $44.00
- +
5g
95%
in stock  
$170.00   $119.00
- +
25g
95%
in stock  
$544.00   $381.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003JWL
Chemical Name:
4-(2-Chloroacetamido)benzoic acid
CAS Number:
4596-39-8
Molecular Formula:
C9H8ClNO3
Molecular Weight:
213.6177
MDL Number:
MFCD00239393
SMILES:
ClCC(=O)Nc1ccc(cc1)C(=O)O
NSC Number:
14830
Properties
Properties
 
Form:
Solid  
MP:
>257°C (dec.)  
Storage:
2-8℃;Inert atmosphere;  

Computed Properties
 
Complexity:
224  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
3  
XLogP3:
1.9  

Downstream Synthesis Route

[1]Martin,TellisA.;Comer,WilliamT.[JournalofMedicinalChemistry,1985,vol.28,#7,p.910-914]

[2]Harte,AndrewJ.;Gunnlaugsson,Thorfinnur[TetrahedronLetters,2006,vol.47,#35,p.6321-6324]

[3]Kar,Koyel;Krithika,Uma;Mithuna;Basu,Prabhuddha;SanthoshKumar;Reji,Anu;PrashanthaKumar[BioorganicChemistry,2014,vol.56,p.27-33]

[4]El-Adl,Khaled;El-Helby,Abdel-GhanyA.;Sakr,Helmy;Ayyad,RezkR.;Mahdy,HazemA.;Nasser,Mohamed;Abulkhair,HamadaS.;El-Hddad,SanadelaslamS.A.[ArchivderPharmazie,2021,vol.354,#2]

[5]Altamimi,Abdul-MalekS.;Abdel-Gawad,SherifA.;Alafeefy,AhmedM.;Balode,Agnese;Vozny,Igor;Pustenko,Aleksandrs;Žalubovskis,Raivis;ElShikh,MoheyEldin;Alasmary,FatmahA.S.[JournalofEnzymeInhibitionandMedicinalChemistry,2018,vol.33,#1,p.147-150]

[6]Martins,AndréF.;Morfin,Jean-François;Geraldes,CarlosF.G.C.;Tóth,Éva[JournalofBiologicalInorganicChemistry,2014,vol.19,#2,p.281-295]

[7]Kumar,Rajesh;Kaur,Maninder;Bahia,MalkeetSingh;Silakari,Om[EuropeanJournalofMedicinalChemistry,2014,vol.80,p.83-91]

[8]CurrentPatentAssignee:302MILITARYHOSPITALCHINA;TIANJININSTITUTEOFPHARMACEUTICALRESEARCH;GUIZHOUMEDICALUNIVERSITY-US2009/247470,2009,A1Locationinpatent:Page/Pagecolumn13

[9]Locationinpatent:experimentalpartQiu,Jingying;Xu,Bixue;Huang,Zhengming;Pan,Weidong;Cao,Peixue;Liu,Changxiao;Hao,Xiaojiang;Song,Baoan;Liang,Guangyi[BioorganicandMedicinalChemistry,2011,vol.19,#18,p.5352-5360]

[10]Miknis,GregF.;Stevens,SarahJ.;Smith,LukeE.;Ostrov,DavidA.;Churchill,MairE.A.[BioorganicandMedicinalChemistryLetters,2015,vol.25,#4,p.963-968]

[11]Monforte,AnnaMaria;DeLuca,Laura;Buemi,MariaRosa;Agharbaoui,FatimaE.;Pannecouque,Christophe;Ferro,Stefania[BioorganicandMedicinalChemistry,2018,vol.26,#3,p.661-674]

[12]Gupta,RajeshKumar;Jain,Neha;Kumar,Amit;Sarkar,Anjana;Sharma,Deeksha;Sharma,Saurabh;Sinha,Niharika;Tyagi,JayaSivaswami[JournalofMolecularStructure,2022,vol.1254]

[13]Tropp[ChemischeBerichte,1928,vol.61,p.1437]

[14]Quick;Adams[JournaloftheAmericanChemicalSociety,1922,vol.44,p.811]

[15]Raiziss;Clemence[JournaloftheAmericanChemicalSociety,1930,vol.52,p.2019,2022]

[16]Locationinpatent:schemeortableAbbas,SafinazE.;Awadallah,FadiM.;Ibrahim,NashwaA.;Gouda,AhmedM.[EuropeanJournalofMedicinalChemistry,2010,vol.45,#2,p.482-491]

[17]Locationinpatent:experimentalpartRao,M.E.Bhanoji;Rajurkar,VikasG.[AsianJournalofChemistry,2011,vol.23,#6,p.2648-2652]

[18]Locationinpatent:schemeortableDemirOezkay,Uemide;Oezkay,Yusuf;Can,OezguerDevrim[MedicinalChemistryResearch,2011,vol.20,#2,p.152-157]

[19]Locationinpatent:experimentalpartSaravanan;Selvaraju;Nagarajan[SyntheticCommunications,2012,vol.42,#22,p.3361-3367]

[20]Joshi,Prashant;Deora,GirdharSingh;Rathore,Vandana;Rawat,ArunK.;Srivastava;Jain,Deepti[MedicinalChemistryResearch,2013,vol.22,#4,p.1618-1623]

[21]Valiveti,AdityaKapil;Bhalerao,UmaM.;Acharya,Jyotiranjan;Karade,HitendraN.;Gundapu,Raviraju;Halve,AnandK.;Kaushik,MahabirParshad[Chemico-BiologicalInteractions,2015,vol.237,p.125-132]

[22]Chang,Ya-Nan;Xiang,Yang;Zhang,Yue-Juan;Wang,Wen-Ming;Chen,Cheng;Oelschlaeger,Peter;Yang,Ke-Wu[ACSMedicinalChemistryLetters,2017,vol.8,#5,p.527-532]

[23]Mohamed,MamdouhF.A.;Youssif,BahaaG.M.;Shaykoon,MontaserSh.A.;Abdelrahman,MostafaH.;Elsadek,BakheetE.M.;Aboraia,AhmedS.;Abuo-Rahma,GamalEl-DinA.[BioorganicChemistry,2019,vol.91]

[24]Khalifa,mohamedm.;Radwan,mohamedm.;Rashed,mahmoud;Sakr,Helmy;ayyad,RezkR.;belal,amany;eissa,IbrahimH.;el-Helby,abdel-Ghanya.;el-Sharkawy,abdou;elSohly,mahmouda.;elhendawy,mostafaa.;mahdy,Hazema.;metwaly,ahmedm.[BioorganicChemistry,2020,vol.103]

[25]Eissa,IbrahimH.;El-Helby,Abdel-GhanyA.;Mahdy,HazemA.;Khalifa,MohamedM.;Elnagar,HamdyA.;Mehany,AhmedB.M.;Metwaly,AhmedM.;Elhendawy,MostafaA.;Radwan,MohamedM.;ElSohly,MahmoudA.;El-Adl,Khaled[BioorganicChemistry,2020,vol.105]

[26]El-Adl,Khaled;El-Helby,Abdel-GhanyA.;Ayyad,RezkR.;Mahdy,HazemA.;Khalifa,MohamedM.;Elnagar,HamdyA.;Mehany,AhmedB.M.;Metwaly,AhmedM.;Elhendawy,MostafaA.;Radwan,MohamedM.;ElSohly,MahmoudA.;Eissa,IbrahimH.[BioorganicandMedicinalChemistry,2021,vol.29]

[27]Patel,KrupaR.;Brahmbhatt,JpanG.;Pandya,PranavA.;Daraji,DrashtiG.;Patel,HiteshD.;Rawal,RakeshM.;Baran,SujitK.[JournalofMolecularStructure,2021,vol.1231]

[28]Alsaif,NawafA.;Dahab,MohammedA.;Alanazi,MohammedM.;Obaidullah,AhmadJ.;Al-Mehizia,AbdulrahmanA.;Alanazi,ManalM.;Aldawas,Saleh;Mahdy,HazemA.;Elkady,Hazem[BioorganicChemistry,2021,vol.110]Alsaif,NawafA.;Taghour,MohammedS.;Alanazi,MohammedM.;Obaidullah,AhmadJ.;Al-Mehizia,AbdulrahmanA.;Alanazi,ManalM.;Aldawas,Saleh;Elwan,Alaa;Elkady,Hazem[JournalofEnzymeInhibitionandMedicinalChemistry,2021,vol.36,#1,p.1093-1114]Alanazi,ManalM.;Alanazi,MohammedM.;Alharbi,MadhawiA.;Alkahtani,HamadM.;Alsaif,NawafA.;Dahab,MohammedA.;Eissa,IbrahimH.;Elkady,Hazem;Obaidullah,AhmadJ.[RSCAdvances,2021,vol.11,#48,p.30315-30328]Dahab,MohammedA.;Doghish,AhmedS.;Eissa,IbrahimH.;El-Mahdy,HeshamA.;Elkady,Hazem;Elkaeed,EslamB.;Elwan,Alaa;Ismail,Ahmed;Khalifa,MohamedM.;Mahdy,HazemA.;Taghour,MohammedS.[JournalofEnzymeInhibitionandMedicinalChemistry,2022,vol.37,#1,p.397-410]Al-Hossaini,AbdulahM.;Alanazi,MohammedM.;Alanazi,WaelA.;Alharbi,MadhawiA.;Alsaif,NawafA.;Dahab,MohammedA.;Eissa,IbrahimH.;Elkady,Hazem;Obaidullah,AhmadJ.[JournalofMolecularStructure,2022,vol.1253]Ahmed,MarwaF.;Alsantali,ReemI.;Dahab,MohammedA.;Eissa,IbrahimH.;El-Haggar,Radwan;Elwan,Alaa;Fatahala,SamarS.;Mahdy,HazemA.;Masurier,Nicolas[JournalofEnzymeInhibitionandMedicinalChemistry,2022,vol.37,#1,p.1587-1599]

[29]Yele,Vidyasrilekha;Azam,MohammadAfzal;Wadhwani,AshishD.[Chemistryandbiodiversity,2021,vol.18,#4]

[30]Alanazi,MohammedM.;Mahdy,HazemA.;Alsaif,NawafA.;Obaidullah,AhmadJ.;Alkahtani,HamadM.;Al-Mehizia,AbdulrahmanA.;Alsubaie,SultanM.;Dahab,MohammedA.;Eissa,IbrahimH.[BioorganicChemistry,2021,vol.112]

[31]El-Adl,Khaled;Sakr,HelmyM.;Yousef,RedaG.;Mehany,AhmedB.M.;Metwaly,AhmedM.;Elhendawy,MostafaA.;Radwan,MohamedM.;ElSohly,MahmoudA.;Abulkhair,HamadaS.;Eissa,IbrahimH.[BioorganicChemistry,2021,vol.114]

[32]Alsaif,NawafA.;Taghour,MohammedS.;Alanazi,MohammedM.;Obaidullah,AhmadJ.;Alanazi,WaelA.;Alasmari,Abdullah;Albassam,Hussam;Dahab,MohammedA.;Mahdy,HazemA.[BioorganicandMedicinalChemistry,2021,vol.46]

[33]Campos-Almazán,MaraIbeth;Flores-Ramos,Miguel;Hernández-Campos,Alicia;Castillo,Rafael;Sierra-Campos,Erick;Torgeson,Kristiane;Peti,Wolfgang;Valdez-Solana,Mónica;Oria-Hernández,Jesús;Méndez,SaraT.;Castillo-Villanueva,Adriana;Jiménez-deJesús,Hugo;Avitia-Domínguez,Claudia;Téllez-Valencia,Alfredo[BioorganicandMedicinalChemistry,2021,vol.48]

[34]Alanazi,MohammedM.;Alanazi,WaelA.;Alasmari,AbdullahF.;Albassam,Hussam;Alsaif,NawafA.;Elwan,Alaa;Mahdy,HazemA.;Obaidullah,AhmadJ.;Taghour,MohammedS.[MolecularDiversity,2021]

[35]Rani,Priyanka;Pal,Dilipkumar;Hegde,RahulRama;Hashim,SyedRiaz[PharmaceuticalChemistryJournal,2021,vol.55,#7,p.715-723]

[36]Al-Hossaini,AbdullahM.;Al-Mehizi,AbdulrahmanA.;Alanazi,MohammedM.;Alkahtani,HamadM.;Alsaif,NawafA.;Elwan,Alaa;Mahdy,HazemA.;Obaidullah,AhmadJ.;Taghour,MohammedS.[ArchivderPharmazie,2022,vol.355,#2]

[1]Leone-Bay,Andrea;Timony,PeterE.[SyntheticCommunications,1988,vol.18,#14,p.1637-1640]

[1]Kumar,Rajesh;Kaur,Maninder;Bahia,MalkeetSingh;Silakari,Om[EuropeanJournalofMedicinalChemistry,2014,vol.80,p.83-91]

Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Country:
Additional Info:
SDS
Tags:4596-39-8 Molecular Formula|4596-39-8 MDL|4596-39-8 SMILES|4596-39-8 4-(2-Chloroacetamido)benzoic acid