1849-25-8,MFCD00168826
Catalog No.:AA0037KC

1849-25-8 | 4-(Phenylethynyl)aniline

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$84.00   $59.00
- +
1g
95%
in stock  
$226.00   $158.00
- +
5g
97%
in stock  
$1,108.00   $775.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0037KC
Chemical Name:
4-(Phenylethynyl)aniline
CAS Number:
1849-25-8
Molecular Formula:
C14H11N
Molecular Weight:
193.2438
MDL Number:
MFCD00168826
SMILES:
Nc1ccc(cc1)C#Cc1ccccc1
Properties
Properties
 
Form:
Solid  
MP:
126-128℃  

Computed Properties
 
Complexity:
243  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4.1  

Downstream Synthesis Route

[1]Kalashnyk,Nataliya;Ganeshnagaswaran,Praveen;Kervyn,Simon;Riello,Massimo;Moreton,Ben;Jones,TimS.;Devita,Alessandro;Bonifazi,Davide;Costantini,Giovanni[Chemistry-AEuropeanJournal,2014,vol.20,#37,p.11856-11862]

[2]Yasuhara;Kasano;Sakamoto[JournalofOrganicChemistry,1999,vol.64,#7,p.2301-2303]

[3]Han,MinSu;Jang,Mingyeong;Lim,Taeho;Park,ByoungYong[JournalofOrganicChemistry,2022,vol.87,#2,p.910-919]

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[5]Yang,Wang-Yong;Breiner,Boris;Kovalenko,SergueiV.;Ben,Chi;Singh,Mani;LeGrand,ShaunaN.;Sang,Qing-XiangAmy;Strouse,GeoffreyF.;Copland,JohnA.;Alabugin,IgorV.[JournaloftheAmericanChemicalSociety,2009,vol.131,#32,p.11458-11470]

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[7]Zhao,Lixing;Hu,Chenyang;Cong,Xuefeng;Deng,Gongda;Liu,LiuLeo;Luo,Meiming;Zeng,Xiaoming[JournaloftheAmericanChemicalSociety,2021,vol.143,#3,p.1618-1629]

[8]Litwinenko;Lewtschenko;Androssow[ZhurnalObshcheiKhimii,1958,vol.28,p.2046][Chem.Abstr.,1959,p.2154]

[9]Haddowetal.[PhilosophicaltransactionsoftheRoyalSocietyofLondon.SeriesA,Mathematicalandphysicalsciences,1948,vol.241,p.147,187]

[10]Veschambre,H.etal.[BulletindelaSocieteChimiquedeFrance,1967,p.134-139]

[11]Dombrovskii,A.V.;Taschchuk,K.G.[JournalofgeneralchemistryoftheUSSR,1963,vol.33,p.158-162][ZhurnalObshcheiKhimii,1963,vol.33,#1,p.165-170]

75-44-5    1849-25-8   
1-Isocyanato-4-phenylethynyl-benzene 

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1849-25-8    98-88-4   
N-4-(phenylethynyl)phenyl-benzamide 

[1]Lewis,FrederickD.;Liu,Weizhong[JournalofPhysicalChemistryA,1999,vol.103,#48,p.9678-9686]

[2]Lewis,FrederickD.;Long,TimothyM.;Stern,CharlotteL.;Liu,Weizhong[JournalofPhysicalChemistryA,2003,vol.107,#18,p.3254-3262]

1849-25-8    4422-95-1   
N,N',N''-tris-4-(phenylethynyl)phenyl-1,3,5-benzenetricarboxamide 

[1]Lewis,FrederickD.;Long,TimothyM.;Stern,CharlotteL.;Liu,Weizhong[JournalofPhysicalChemistryA,2003,vol.107,#18,p.3254-3262]

Literature

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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SDS
Tags:1849-25-8 Molecular Formula|1849-25-8 MDL|1849-25-8 SMILES|1849-25-8 4-(Phenylethynyl)aniline
Catalog No.: AA0037KC
1849-25-8,MFCD00168826
1849-25-8 | 4-(Phenylethynyl)aniline
Pack Size: 250mg
Purity: 95%
in stock
$84.00 $59.00
Pack Size: 1g
Purity: 95%
in stock
$226.00 $158.00
Pack Size: 5g
Purity: 97%
in stock
$1,108.00 $775.00
Quantity
- +
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Technical Information
Catalog Number: AA0037KC
Chemical Name: 4-(Phenylethynyl)aniline
CAS Number: 1849-25-8
Molecular Formula: C14H11N
Molecular Weight: 193.2438
MDL Number: MFCD00168826
SMILES: Nc1ccc(cc1)C#Cc1ccccc1
Properties
Form: Solid  
MP: 126-128℃  
Complexity: 243  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4.1  
Downstream Synthesis Route
1942-30-9    1849-25-8 

[1]Kalashnyk,Nataliya;Ganeshnagaswaran,Praveen;Kervyn,Simon;Riello,Massimo;Moreton,Ben;Jones,TimS.;Devita,Alessandro;Bonifazi,Davide;Costantini,Giovanni[Chemistry-AEuropeanJournal,2014,vol.20,#37,p.11856-11862]

[2]Yasuhara;Kasano;Sakamoto[JournalofOrganicChemistry,1999,vol.64,#7,p.2301-2303]

[3]Han,MinSu;Jang,Mingyeong;Lim,Taeho;Park,ByoungYong[JournalofOrganicChemistry,2022,vol.87,#2,p.910-919]

[4]Schabel,Tobias;Belger,Christian;Plietker,Bernd[OrganicLetters,2013,vol.15,#11,p.2858-2861]

[5]Yang,Wang-Yong;Breiner,Boris;Kovalenko,SergueiV.;Ben,Chi;Singh,Mani;LeGrand,ShaunaN.;Sang,Qing-XiangAmy;Strouse,GeoffreyF.;Copland,JohnA.;Alabugin,IgorV.[JournaloftheAmericanChemicalSociety,2009,vol.131,#32,p.11458-11470]

[6]Guha,NitulRanjan;Bhattacherjee,Dhananjay;Das,Pralay[TetrahedronLetters,2014,vol.55,#18,p.2912-2916]

[7]Zhao,Lixing;Hu,Chenyang;Cong,Xuefeng;Deng,Gongda;Liu,LiuLeo;Luo,Meiming;Zeng,Xiaoming[JournaloftheAmericanChemicalSociety,2021,vol.143,#3,p.1618-1629]

[8]Litwinenko;Lewtschenko;Androssow[ZhurnalObshcheiKhimii,1958,vol.28,p.2046][Chem.Abstr.,1959,p.2154]

[9]Haddowetal.[PhilosophicaltransactionsoftheRoyalSocietyofLondon.SeriesA,Mathematicalandphysicalsciences,1948,vol.241,p.147,187]

[10]Veschambre,H.etal.[BulletindelaSocieteChimiquedeFrance,1967,p.134-139]

[11]Dombrovskii,A.V.;Taschchuk,K.G.[JournalofgeneralchemistryoftheUSSR,1963,vol.33,p.158-162][ZhurnalObshcheiKhimii,1963,vol.33,#1,p.165-170]

75-44-5    1849-25-8   
1-Isocyanato-4-phenylethynyl-benzene 

[1]Hogarth,Graeme;Humphrey,DavidG.;Kaltsoyannis,Nikolas;Kim,Woo-Sung;Lee,Mo-Yin;Norman,Tim;Redmond,SimonP.[JournaloftheChemicalSociety,DaltonTransactions,1999,#16,p.2705-2723]

536-74-3    540-37-4    1849-25-8 

[1]Tsai,Wen-Ting;Lin,Yun-Yung;Wang,Yu-Jen;Lee,Chin-Fa[Synthesis,2012,vol.44,#10,p.1507-1510]

[2]Tasseroul,Jonathan;Lorenzo-Garcia,MariaMercedes;Dosso,Jacopo;Simon,François;Velari,Simone;DeVita,Alessandro;Tecilla,Paolo;Bonifazi,Davide[JournalofOrganicChemistry,2020,vol.85,#5,p.3454-3464]

[3]Sagadevan,Arunachalam;Hwang,KuoChu[AdvancedSynthesisandCatalysis,2012,vol.354,#18,p.3421-3427]

[4]Asahara,Haruyasu;Mukaijo,Yusuke;Muragishi,Kengo;Iwai,Kento;Ito,Akitaka;Nishiwaki,Nagatoshi[EuropeanJournalofOrganicChemistry,2021,vol.2021,#42,p.5747-5755]

[5]CurrentPatentAssignee:HOKKOCHEMICALINDUSTRYCOLTD-JP6084874,2017,B2Locationinpatent:Paragraph0102;0106

[6]Sakai,Norio;Annaka,Kimiyoshi;Konakahara,Takeo[OrganicLetters,2004,vol.6,#10,p.1527-1530]

[7]Awasthi,SatishKumar;Yadav,Deepika[GreenChemistry,2020,vol.22,#13,p.4295-4303]

[8]Lin,Che-Hung;Wang,Yu-Jen;Lee,Chin-Fa[EuropeanJournalofOrganicChemistry,2010,#23,p.4368-4371]

[9]Hosseini-Sarvari,Mona;Razmi,Zahra;Doroodmand,MohammadMehdi[AppliedCatalysisA:General,2014,vol.475,p.477-486]

[10]Endo,Yasuyuki;Songkram,Chalermkiat;Yamasaki,Ryu;Tanatani,Aya;Kagechika,Hiroyuki;Takaishi,Kojiro;Yamaguchi,Kentaro[JournalofOrganometallicChemistry,2002,vol.657,#1-2,p.48-58]

[11]Sardarian,AliReza;Eslahi,Hassan;Esmaeilpour,Mohsen[AppliedOrganometallicChemistry,2019,vol.33,#7]

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1849-25-8    98-88-4   
N-4-(phenylethynyl)phenyl-benzamide 

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1849-25-8    4422-95-1   
N,N',N''-tris-4-(phenylethynyl)phenyl-1,3,5-benzenetricarboxamide 

[1]Lewis,FrederickD.;Long,TimothyM.;Stern,CharlotteL.;Liu,Weizhong[JournalofPhysicalChemistryA,2003,vol.107,#18,p.3254-3262]

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