Name: Name:2-Cyclopropyl-1-phenylethan-1-one
Brand: AABLOCKS
SKU: AA006HFT
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA006HFT

Chemical Name: 2-Cyclopropyl-1-phenylethan-1-one

CAS Number: 6739-22-6

Molecular Formula: C11H12O

Molecular Weight: 160.2124

MDL Number: MFCD13181717

SMILES: O=C(c1ccccc1)CC1CC1

Properties

Complexity: 164

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 12

Hydrogen Bond Acceptor Count: 1

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 3

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 2.7

Downstream Synthesis Route

6542-60-5

100-58-3

6739-22-6

[1]CurrentPatentAssignee:MERCK&COINC-WO2009/143049,2009,A1Locationinpatent:Page/Pagecolumn182

[2]Das,Sanju;Mandal,Tanumoy;DeSarkar,Suman[AdvancedSynthesisandCatalysis,2022,vol.364,#4,p.755-765]

[3]Fan,Shuaixin;Fang,Lili;Li,Tielei;Wu,Weiping;Zhu,Jin[ChemicalCommunications,2021,vol.57,#60,p.7386-7389]

[4]CurrentPatentAssignee:LIGANDPHARMACEUTICALSINC;MERCK&COINC-WO2004/33440,2004,A1Locationinpatent:Page318-319

[5]CurrentPatentAssignee:MERCK&COINC;LIGANDPHARMACEUTICALSINC-US2004/147559,2004,A1Locationinpatent:Page176

[6]CurrentPatentAssignee:MERCK&COINC;LIGANDPHARMACEUTICALSINC-US2004/106794,2004,A1Locationinpatent:Page176-177

[7]CurrentPatentAssignee:LIGANDPHARMACEUTICALSINC;MERCK&COINC-WO2005/68460,2005,A1Locationinpatent:Page/Pagecolumn282

[8]SousaESilva,FelipeCesar;Doktor,Katarzyna;Michaudel,Quentin[OrganicLetters,2021,vol.23,#13,p.5271-5276]

[9]Xia,Aiyou;Xie,Xin;Hu,Xiaoping;Xu,Wei;Liu,Yuanhong[JournalofOrganicChemistry,2019,vol.84,#21,p.13841-13857]

108-86-1

6542-60-5

6739-22-6

[1]PichetteDrapeau,Martin;Fabre,Indira;Grimaud,Laurence;Ciofini,Ilaria;Ollevier,Thierry;Taillefer,Marc[AngewandteChemie-InternationalEdition,2015,vol.54,#36,p.10587-10591][Angew.Chem.,2015,vol.127,#36,p.10733-10737,5]

6739-22-6 | 2-Cyclopropyl-1-phenylethan-1-one