3402-74-2,MFCD00627972
Catalog No.:AA007HKM

3402-74-2 | 1-Methyl-4-(4-nitrophenoxy)benzene

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$51.00   $36.00
- +
5g
98%
in stock  
$131.00   $92.00
- +
10g
98%
in stock  
$210.00   $147.00
- +
25g
98%
in stock  
$408.00 $286.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA007HKM
Chemical Name:
1-Methyl-4-(4-nitrophenoxy)benzene
CAS Number:
3402-74-2
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
MDL Number:
MFCD00627972
SMILES:
Cc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-]
NSC Number:
140277
Properties
Computed Properties
 
Complexity:
248  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.9  

Downstream Synthesis Route

[1]Xia,Lianlian;Zhai,Xuejiao;Xiong,Xuhai;Chen,Ping[RSCAdvances,2014,vol.4,#9,p.4646-4655]

[2]Brewster;Slocombe[JournaloftheAmericanChemicalSociety,1945,vol.67,p.562]

[3]Horii[YakugakuZasshi/JournalofthePharmaceuticalSocietyofJapan,1937,vol.57,p.298,305;dtsch.Ref.S.124,125][ChemischesZentralblatt,1937,vol.108,#II,p.3311]

[4]Mironov,G.S.etal.[JournalofOrganicChemistryUSSR(EnglishTranslation),1973,vol.9,p.127-130][ZhurnalOrganicheskoiKhimii,1973,vol.9,#1,p.128-132]

[5]Li,Yingjun;Yu,Yang;Jin,Kun;Gao,Lixin;Luo,Tongchuan;Sheng,Li;Shao,Xin;Li,Jia[BioorganicandMedicinalChemistryLetters,2014,vol.24,#17,p.4125-4128]

[1]Hellwinkel,Dieter;Stahl,Heinz[ZeitschriftfurNaturforschung,B:ChemicalSciences,1993,vol.48,#4,p.521-538]

[2]Lu,Wenchao;Wang,Jun;Li,Yong;Tao,Hongru;Xiong,Huan;Lian,Fulin;Gao,Jing;Ma,Hongna;Lu,Tian;Zhang,Dan;Ye,Xiaoqing;Ding,Hong;Yue,Liyan;Zhang,Yuanyuan;Tang,Huanyu;Zhang,Naixia;Yang,Yaxi;Jiang,Hualiang;Chen,Kaixian;Zhou,Bing;Luo,Cheng[EuropeanJournalofMedicinalChemistry,2019,vol.184]

[3]Fries;Boeker;Wallbaum[JustusLiebigsAnnalenderChemie,1934,vol.509,p.73,100]

[4]Haeussermann;Schmidt[ChemischeBerichte,1901,vol.34,p.3770]

[5]Campbell;Turner[JournaloftheChemicalSociety,1938,p.37,39]

[6]Weber;Sowa[JournaloftheAmericanChemicalSociety,1938,vol.60,p.94]

[7]Cook[JournaloftheAmericanChemicalSociety,1903,vol.25,p.61]

[8]Baliah,V.;Kanagasabapathy,V.M.[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1978,vol.16,p.810-814]

[9]Kirkland,ThomasA.;Adler,Marc;Bauman,JohnG.;Chen,Ming;Haeggstroem,JesperZ.;King,Beverly;Kochanny,MonicaJ.;Liang,AmyM.;Mendoza,Lisa;Phillips,GaryB.;Thunnissen,Marjolein;Trinh,Lan;Whitlow,Marc;Ye,Bin;Ye,Hong;Parkinson,John;Guilford,WilliamJ.[BioorganicandMedicinalChemistry,2008,vol.16,#9,p.4963-4983]

[10]Locationinpatent:schemeortableMcClellan,WilliamJ.;Dai,Yujia;Abad-Zapatero,Cele;Albert,DanielH.;Bouska,JenniferJ.;Glaser,KeithB.;Magoc,TerryJ.;Marcotte,PatrickA.;Osterling,DonaldJ.;Stewart,KentD.;Davidsen,StevenK.;Michaelides,MichaelR.[BioorganicandMedicinalChemistryLetters,2011,vol.21,#18,p.5620-5624]

[11]Bandna;Guha,NitulRanjan;Shil,ArunK.;Sharma,Dharminder;Das,Pralay[TetrahedronLetters,2012,vol.53,#39,p.5318-5322]

[12]Yang,Liuqing;Liu,Wei;Mei,Hanbing;Zhang,Yuan;Yu,Xiaojuan;Xu,Yufang;Li,Honglin;Huang,Jin;Zhao,Zhenjiang[MedChemComm,2015,vol.6,#4,p.671-676]

[13]Lanning,MaryannaE.;Yu,Wenbo;Yap,JeremyL.;Chauhan,Jay;Chen,Lijia;Whiting,Ellis;Pidugu,LakshmiS.;Atkinson,Tyler;Bailey,Hala;Li,Willy;Roth,BradenM.;Hynicka,Lauren;Chesko,Kirsty;Toth,EricA.;Shapiro,Paul;MacKerell,AlexanderD.;Wilder,PaulT.;Fletcher,Steven[EuropeanJournalofMedicinalChemistry,2016,vol.113,p.273-292]

[14]CurrentPatentAssignee:ShanghaiInstituteofMateriaMedica(in:CAS);CHINESEACADEMYOFSCIENCES-CN112010789,2020,ALocationinpatent:Paragraph0132;0136-0138

[1]Lu,Wenchao;Wang,Jun;Li,Yong;Tao,Hongru;Xiong,Huan;Lian,Fulin;Gao,Jing;Ma,Hongna;Lu,Tian;Zhang,Dan;Ye,Xiaoqing;Ding,Hong;Yue,Liyan;Zhang,Yuanyuan;Tang,Huanyu;Zhang,Naixia;Yang,Yaxi;Jiang,Hualiang;Chen,Kaixian;Zhou,Bing;Luo,Cheng[EuropeanJournalofMedicinalChemistry,2019,vol.184]

[2]Locationinpatent:experimentalpartKhalilzadeh,MohammadA.;Hosseini,Abolfazl;Pilevar,Afsaneh[EuropeanJournalofOrganicChemistry,2011,#8,p.1587-1592]

[3]Keipour,Hoda;Hosseini,Abolfazl;Afsari,Amir;Oladee,Razieh;Khalilzadeh,MohammadA.;Ollevier,Thierry[CanadianJournalofChemistry,2015,vol.94,#1,p.95-104]

[4]Yang,Liuqing;Liu,Wei;Mei,Hanbing;Zhang,Yuan;Yu,Xiaojuan;Xu,Yufang;Li,Honglin;Huang,Jin;Zhao,Zhenjiang[MedChemComm,2015,vol.6,#4,p.671-676]

[5]Narsaiah,A.Venkat;Nagaiah[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,2004,vol.43,#11,p.2478-2481]

[6]Dey,Archan;Desiraju,GautamR.[ChemicalCommunications,2005,#19,p.2486-2488]

[7]Kirkland,ThomasA.;Adler,Marc;Bauman,JohnG.;Chen,Ming;Haeggstroem,JesperZ.;King,Beverly;Kochanny,MonicaJ.;Liang,AmyM.;Mendoza,Lisa;Phillips,GaryB.;Thunnissen,Marjolein;Trinh,Lan;Whitlow,Marc;Ye,Bin;Ye,Hong;Parkinson,John;Guilford,WilliamJ.[BioorganicandMedicinalChemistry,2008,vol.16,#9,p.4963-4983]

[8]Locationinpatent:schemeortableMcClellan,WilliamJ.;Dai,Yujia;Abad-Zapatero,Cele;Albert,DanielH.;Bouska,JenniferJ.;Glaser,KeithB.;Magoc,TerryJ.;Marcotte,PatrickA.;Osterling,DonaldJ.;Stewart,KentD.;Davidsen,StevenK.;Michaelides,MichaelR.[BioorganicandMedicinalChemistryLetters,2011,vol.21,#18,p.5620-5624]

[9]Lanning,MaryannaE.;Yu,Wenbo;Yap,JeremyL.;Chauhan,Jay;Chen,Lijia;Whiting,Ellis;Pidugu,LakshmiS.;Atkinson,Tyler;Bailey,Hala;Li,Willy;Roth,BradenM.;Hynicka,Lauren;Chesko,Kirsty;Toth,EricA.;Shapiro,Paul;MacKerell,AlexanderD.;Wilder,PaulT.;Fletcher,Steven[EuropeanJournalofMedicinalChemistry,2016,vol.113,p.273-292]

[10]CurrentPatentAssignee:ShanghaiInstituteofMateriaMedica(in:CAS);CHINESEACADEMYOFSCIENCES-CN112010789,2020,ALocationinpatent:Paragraph0132-0135

Literature
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Related Products of 3402-74-2
Tags:3402-74-2 Molecular Formula|3402-74-2 MDL|3402-74-2 SMILES|3402-74-2 1-Methyl-4-(4-nitrophenoxy)benzene
Catalog No.: AA007HKM
3402-74-2,MFCD00627972
3402-74-2 | 1-Methyl-4-(4-nitrophenoxy)benzene
Pack Size: 1g
Purity: 98%
in stock
$51.00 $36.00
Pack Size: 5g
Purity: 98%
in stock
$131.00 $92.00
Pack Size: 10g
Purity: 98%
in stock
$210.00 $147.00
Pack Size: 25g
Purity: 98%
in stock
$408.00 $286.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA007HKM
Chemical Name: 1-Methyl-4-(4-nitrophenoxy)benzene
CAS Number: 3402-74-2
Molecular Formula: C13H11NO3
Molecular Weight: 229.2313
MDL Number: MFCD00627972
SMILES: Cc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-]
NSC Number: 140277
Properties
Complexity: 248  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 17  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.9  
Downstream Synthesis Route
3402-74-2    16309-45-8 

[1]Xia,Lianlian;Zhai,Xuejiao;Xiong,Xuhai;Chen,Ping[RSCAdvances,2014,vol.4,#9,p.4646-4655]

[2]Brewster;Slocombe[JournaloftheAmericanChemicalSociety,1945,vol.67,p.562]

[3]Horii[YakugakuZasshi/JournalofthePharmaceuticalSocietyofJapan,1937,vol.57,p.298,305;dtsch.Ref.S.124,125][ChemischesZentralblatt,1937,vol.108,#II,p.3311]

[4]Mironov,G.S.etal.[JournalofOrganicChemistryUSSR(EnglishTranslation),1973,vol.9,p.127-130][ZhurnalOrganicheskoiKhimii,1973,vol.9,#1,p.128-132]

[5]Li,Yingjun;Yu,Yang;Jin,Kun;Gao,Lixin;Luo,Tongchuan;Sheng,Li;Shao,Xin;Li,Jia[BioorganicandMedicinalChemistryLetters,2014,vol.24,#17,p.4125-4128]

3402-74-2    41295-20-9 

[1]Hellwinkel,Dieter;Stahl,Heinz[ZeitschriftfurNaturforschung,B:ChemicalSciences,1993,vol.48,#4,p.521-538]

[2]Lu,Wenchao;Wang,Jun;Li,Yong;Tao,Hongru;Xiong,Huan;Lian,Fulin;Gao,Jing;Ma,Hongna;Lu,Tian;Zhang,Dan;Ye,Xiaoqing;Ding,Hong;Yue,Liyan;Zhang,Yuanyuan;Tang,Huanyu;Zhang,Naixia;Yang,Yaxi;Jiang,Hualiang;Chen,Kaixian;Zhou,Bing;Luo,Cheng[EuropeanJournalofMedicinalChemistry,2019,vol.184]

[3]Fries;Boeker;Wallbaum[JustusLiebigsAnnalenderChemie,1934,vol.509,p.73,100]

[4]Haeussermann;Schmidt[ChemischeBerichte,1901,vol.34,p.3770]

[5]Campbell;Turner[JournaloftheChemicalSociety,1938,p.37,39]

[6]Weber;Sowa[JournaloftheAmericanChemicalSociety,1938,vol.60,p.94]

[7]Cook[JournaloftheAmericanChemicalSociety,1903,vol.25,p.61]

[8]Baliah,V.;Kanagasabapathy,V.M.[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1978,vol.16,p.810-814]

[9]Kirkland,ThomasA.;Adler,Marc;Bauman,JohnG.;Chen,Ming;Haeggstroem,JesperZ.;King,Beverly;Kochanny,MonicaJ.;Liang,AmyM.;Mendoza,Lisa;Phillips,GaryB.;Thunnissen,Marjolein;Trinh,Lan;Whitlow,Marc;Ye,Bin;Ye,Hong;Parkinson,John;Guilford,WilliamJ.[BioorganicandMedicinalChemistry,2008,vol.16,#9,p.4963-4983]

[10]Locationinpatent:schemeortableMcClellan,WilliamJ.;Dai,Yujia;Abad-Zapatero,Cele;Albert,DanielH.;Bouska,JenniferJ.;Glaser,KeithB.;Magoc,TerryJ.;Marcotte,PatrickA.;Osterling,DonaldJ.;Stewart,KentD.;Davidsen,StevenK.;Michaelides,MichaelR.[BioorganicandMedicinalChemistryLetters,2011,vol.21,#18,p.5620-5624]

[11]Bandna;Guha,NitulRanjan;Shil,ArunK.;Sharma,Dharminder;Das,Pralay[TetrahedronLetters,2012,vol.53,#39,p.5318-5322]

[12]Yang,Liuqing;Liu,Wei;Mei,Hanbing;Zhang,Yuan;Yu,Xiaojuan;Xu,Yufang;Li,Honglin;Huang,Jin;Zhao,Zhenjiang[MedChemComm,2015,vol.6,#4,p.671-676]

[13]Lanning,MaryannaE.;Yu,Wenbo;Yap,JeremyL.;Chauhan,Jay;Chen,Lijia;Whiting,Ellis;Pidugu,LakshmiS.;Atkinson,Tyler;Bailey,Hala;Li,Willy;Roth,BradenM.;Hynicka,Lauren;Chesko,Kirsty;Toth,EricA.;Shapiro,Paul;MacKerell,AlexanderD.;Wilder,PaulT.;Fletcher,Steven[EuropeanJournalofMedicinalChemistry,2016,vol.113,p.273-292]

[14]CurrentPatentAssignee:ShanghaiInstituteofMateriaMedica(in:CAS);CHINESEACADEMYOFSCIENCES-CN112010789,2020,ALocationinpatent:Paragraph0132;0136-0138

106-44-5    350-46-9    3402-74-2 

[1]Lu,Wenchao;Wang,Jun;Li,Yong;Tao,Hongru;Xiong,Huan;Lian,Fulin;Gao,Jing;Ma,Hongna;Lu,Tian;Zhang,Dan;Ye,Xiaoqing;Ding,Hong;Yue,Liyan;Zhang,Yuanyuan;Tang,Huanyu;Zhang,Naixia;Yang,Yaxi;Jiang,Hualiang;Chen,Kaixian;Zhou,Bing;Luo,Cheng[EuropeanJournalofMedicinalChemistry,2019,vol.184]

[2]Locationinpatent:experimentalpartKhalilzadeh,MohammadA.;Hosseini,Abolfazl;Pilevar,Afsaneh[EuropeanJournalofOrganicChemistry,2011,#8,p.1587-1592]

[3]Keipour,Hoda;Hosseini,Abolfazl;Afsari,Amir;Oladee,Razieh;Khalilzadeh,MohammadA.;Ollevier,Thierry[CanadianJournalofChemistry,2015,vol.94,#1,p.95-104]

[4]Yang,Liuqing;Liu,Wei;Mei,Hanbing;Zhang,Yuan;Yu,Xiaojuan;Xu,Yufang;Li,Honglin;Huang,Jin;Zhao,Zhenjiang[MedChemComm,2015,vol.6,#4,p.671-676]

[5]Narsaiah,A.Venkat;Nagaiah[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,2004,vol.43,#11,p.2478-2481]

[6]Dey,Archan;Desiraju,GautamR.[ChemicalCommunications,2005,#19,p.2486-2488]

[7]Kirkland,ThomasA.;Adler,Marc;Bauman,JohnG.;Chen,Ming;Haeggstroem,JesperZ.;King,Beverly;Kochanny,MonicaJ.;Liang,AmyM.;Mendoza,Lisa;Phillips,GaryB.;Thunnissen,Marjolein;Trinh,Lan;Whitlow,Marc;Ye,Bin;Ye,Hong;Parkinson,John;Guilford,WilliamJ.[BioorganicandMedicinalChemistry,2008,vol.16,#9,p.4963-4983]

[8]Locationinpatent:schemeortableMcClellan,WilliamJ.;Dai,Yujia;Abad-Zapatero,Cele;Albert,DanielH.;Bouska,JenniferJ.;Glaser,KeithB.;Magoc,TerryJ.;Marcotte,PatrickA.;Osterling,DonaldJ.;Stewart,KentD.;Davidsen,StevenK.;Michaelides,MichaelR.[BioorganicandMedicinalChemistryLetters,2011,vol.21,#18,p.5620-5624]

[9]Lanning,MaryannaE.;Yu,Wenbo;Yap,JeremyL.;Chauhan,Jay;Chen,Lijia;Whiting,Ellis;Pidugu,LakshmiS.;Atkinson,Tyler;Bailey,Hala;Li,Willy;Roth,BradenM.;Hynicka,Lauren;Chesko,Kirsty;Toth,EricA.;Shapiro,Paul;MacKerell,AlexanderD.;Wilder,PaulT.;Fletcher,Steven[EuropeanJournalofMedicinalChemistry,2016,vol.113,p.273-292]

[10]CurrentPatentAssignee:ShanghaiInstituteofMateriaMedica(in:CAS);CHINESEACADEMYOFSCIENCES-CN112010789,2020,ALocationinpatent:Paragraph0132-0135

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