Name: Name:t-Butyl 1,3-dihydroisoindole-2-carboxylate
Brand: AABLOCKS
SKU: AA002RE7
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA002RE7

Chemical Name: t-Butyl 1,3-dihydroisoindole-2-carboxylate

CAS Number: 260412-75-7

Molecular Formula: C13H17NO2

Molecular Weight: 219.2796

MDL Number: MFCD21106377

SMILES: O=C(N1Cc2c(C1)cccc2)OC(C)(C)C

Properties

Complexity: 256

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 16

Hydrogen Bond Acceptor Count: 2

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 2

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 2.2

Downstream Synthesis Route

496-12-8

24424-99-5

260412-75-7

[1]McManus,JoshuaB.;Onuska,NicholasP.R.;Nicewicz,DavidA.[JournaloftheAmericanChemicalSociety,2018,vol.140,#29,p.9056-9060]

[2]Locationinpatent:schemeortableVanGoethem,Sebastiaan;VanderVeken,Pieter;Dubois,Veronique;Soroka,Anna;Lambeir,Anne-Marie;Chen,Xin;Haemers,Achiel;Scharpe,Simon;DeMeester,Ingrid;Augustyns,Koen[BioorganicandMedicinalChemistryLetters,2008,vol.18,#14,p.4159-4162]

260412-75-7

76-05-1

1059173-52-2

[1]Locationinpatent:schemeortableVanGoethem,Sebastiaan;VanderVeken,Pieter;Dubois,Veronique;Soroka,Anna;Lambeir,Anne-Marie;Chen,Xin;Haemers,Achiel;Scharpe,Simon;DeMeester,Ingrid;Augustyns,Koen[BioorganicandMedicinalChemistryLetters,2008,vol.18,#14,p.4159-4162]

100-48-1

260412-75-7

1620-30-0

C18H20N2O2

[1]Hoshikawa,Tamaki;Inoue,Masayuki[ChemicalScience,2013,vol.4,#8,p.3118-3123]

260412-75-7

(4-methoxy)benzenesulfonylmethanalO-benzyloxime

C21H24N2O3

[1]Kamijo,Shin;Takao,Go;Kamijo,Kaori;Hirota,Masaki;Tao,Keisuke;Murafuji,Toshihiro[AngewandteChemie-InternationalEdition,2016,vol.55,#33,p.9695-9699][Angew.Chem.,2016,vol.128,p.9847-9851]

24424-99-5

126799-83-5

260412-75-7

138350-83-1

[1]Kuijpers,PetrusF.;Tiekink,MartijnJ.;Breukelaar,WillemB.;Broere,DaniëlL.J.;vanLeest,NicolaasP.;vanderVlugt,JarlIvar;Reek,JoostN.H.;deBruin,Bas[Chemistry-AEuropeanJournal,2017,vol.23,#33,p.7945-7952]

[2]Bagh,Bidraha;Broere,DaniëlL.J.;Sinha,Vivek;Kuijpers,PetrusF.;VanLeest,NicolaasP.;DeBruin,Bas;Demeshko,Serhiy;Siegler,MaximeA.;VanDerVlugt,JarlIvar[JournaloftheAmericanChemicalSociety,2017,vol.139,#14,p.5117-5124]

260412-75-7 | t-Butyl 1,3-dihydroisoindole-2-carboxylate