Name: Name:4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenylethynyl]benzoic acid methyl ester
Brand: AABLOCKS
SKU: AA00HX5K
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00HX5K

Chemical Name: 4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenylethynyl]benzoic acid methyl ester

CAS Number: 1448637-05-5

Molecular Formula: C22H23BO4

Molecular Weight: 362.2266

MDL Number: MFCD16294527

SMILES: COC(=O)c1ccc(cc1)C#Cc1ccc(cc1)B1OC(C(O1)(C)C)(C)C

Properties

Complexity: 582

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 27

Hydrogen Bond Acceptor Count: 4

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 5

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

Downstream Synthesis Route

1855897-03-8

1448637-05-5

1855897-38-9

[1]CurrentPatentAssignee:STATEUNIVERSITYOFNEWYORK-WO2016/57931,2016,A1Locationinpatent:Page/Pagecolumn144-145

1448637-05-5

2271163-73-4

[1]Murugesan,Kathiravan;Alshammari,AhmadS.;Sohail,Manzar;Beller,Matthias;Jagadeesh,RajenahallyV.[JournalofCatalysis,2019,vol.370,p.372-377]

[2]Murugesan,Kathiravan;Bheeter,CharlesBeromeo;Linnebank,PimR.;Spannenberg,Anke;Reek,JoostN.H.;Jagadeesh,RajenahallyV.;Beller,Matthias[ChemSusChem,2019,vol.12,#14,p.3363-3369]

1448637-05-5

2271163-74-5

[1]Murugesan,Kathiravan;Bheeter,CharlesBeromeo;Linnebank,PimR.;Spannenberg,Anke;Reek,JoostN.H.;Jagadeesh,RajenahallyV.;Beller,Matthias[ChemSusChem,2019,vol.12,#14,p.3363-3369]

2365379-82-2

73183-34-3

1448637-05-5

[1]Li,Penghao;Chen,Zhijie;Ryder,MatthewR.;Stern,CharlotteL.;Guo,Qing-Hui;Wang,Xingjie;Farha,OmarK.;Stoddart,J.Fraser[JournaloftheAmericanChemicalSociety,2019,vol.141,#33,p.12998-13002]

[2]Chen,Zhijie;Li,Penghao;Wang,Xingjie;Otake,Ken-Ichi;Zhang,Xuan;Robison,Lee;Atilgan,Ahmet;Islamoglu,Timur;Hall,MorganG.;Peterson,GregoryW.;Stoddart,J.Fraser;Farha,OmarK.[JournaloftheAmericanChemicalSociety,2019,vol.141,#31,p.12229-12235]

55805-81-7

methyl4-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethynyl)benzoate

C116H74O12

[1]Li,Penghao;Chen,Zhijie;Ryder,MatthewR.;Stern,CharlotteL.;Guo,Qing-Hui;Wang,Xingjie;Farha,OmarK.;Stoddart,J.Fraser[JournaloftheAmericanChemicalSociety,2019,vol.141,#33,p.12998-13002]

1448637-05-5 | 4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenylethynyl]benzoic acid methyl ester