Name: Name:3,3-Dimethyl-tetrahydro-pyran-2-one
Brand: AABLOCKS
SKU: AA00D91V
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00D91V

Chemical Name: 3,3-Dimethyl-tetrahydro-pyran-2-one

CAS Number: 4830-05-1

Molecular Formula: C7H12O2

Molecular Weight: 128.1690

MDL Number: MFCD07369942

SMILES: CC1(CCCOC1=O)C

NSC Number: 134778

Properties

Complexity: 127

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 9

Hydrogen Bond Acceptor Count: 2

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 0

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 1.5

Downstream Synthesis Route

2938-48-9

1679-55-6

4830-05-1

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4830-05-1

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[1]Heterocycles,1998,vol.47,p.277-282

542-28-9

74-88-4

4830-05-1

[1]Behrendt,Torsten;Erkel,Gerhard;Lucas,Tobias;Opatz,Till;Vierengel,Nina;Walter,Thorsten;Weber,Carina[Organicandbiomolecularchemistry,2020,vol.18,#30,p.5906-5917]

[2]Munnuri,Sailu;Adebesin,AdeniyiMichael;Paudyal,MaheshP.;Yousufuddin,Muhammed;Dalipe,Alfonso;Falck,JohnR.[JournaloftheAmericanChemicalSociety,2017,vol.139,#50,p.18288-18294]

[3]Tian,He;Liu,Wei;Zhou,Zhixing;Shang,Qian;Liu,Yuqiang;Xie,Yafei;Liu,Changying;Xu,Weiren;Tang,Lida;Wang,Jianwu;Zhao,Guilong[Molecules,2016,vol.21,#11]

[4]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2022/76622,2022,A2Locationinpatent:Paragraph00343

[5]CurrentPatentAssignee:Syngenta(in:SinochemHoldings);SINOCHEMHOLDINGSCORPORATIONLTD-WO2015/18434,2015,A1Locationinpatent:Page/Pagecolumn46-47

[6]CurrentPatentAssignee:Syngenta(in:SinochemHoldings);SINOCHEMHOLDINGSCORPORATIONLTD-WO2015/18433,2015,A1Locationinpatent:Page/Pagecolumn44

[7]CurrentPatentAssignee:AJAXTHERAPEUTICS-WO2021/226261,2021,A1Locationinpatent:Paragraph0328;0329

4830-05-1 | 3,3-Dimethyl-tetrahydro-pyran-2-one