Name: Name:Methyl 4,4-dimethoxybutanoate
Brand: AABLOCKS
SKU: AA0033S6
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA0033S6

Chemical Name: Methyl 4,4-dimethoxybutanoate

CAS Number: 4220-66-0

Molecular Formula: C7H14O4

Molecular Weight: 162.1837

MDL Number: MFCD02683436

SMILES: COC(=O)CCC(OC)OC

NSC Number: 516374

Properties

BP: 191.8°C at 760 mmHg

Form: Liquid

Refractive Index: n20/D 1.417(lit.)

Storage: Inert atmosphere;2-8℃;

Complexity: 109

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 11

Hydrogen Bond Acceptor Count: 4

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 6

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 0.3

Downstream Synthesis Route

13168-99-5

4220-66-0

[1]Mialhe,Y.;Vessiere,R.[BulletindelaSocieteChimiquedeFrance,1970,p.3651-3656]

[2]Mialhe,Y.;Vessiere,R.[BulletindelaSocieteChimiquedeFrance,1970,p.3651-3656]

4220-66-0

13865-19-5

[1]ChemistryLetters,1982,p.23-26

[2]JournalofOrganicChemistry,1985,vol.50,p.5433-5434

[3]JournalofHeterocyclicChemistry,1994,vol.31,p.255-258

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[8]Patent:US2004/127521,2004,A1

[9]Patent:WO2010/55005,2010,A1.Locationinpatent:Page/Pagecolumn67-68

4220-66-0

35848-90-9

[1]Vader;Sengers;DeGroot[Tetrahedron,1989,vol.45,#7,p.2131-2142]

[2]Yin,Zhiping;Liu,Zengjin;Huang,Zhenggang;Chu,Yang;Chu,Zhiwen;Hu,Jia;Gao,Lu;Song,Zhenlei[OrganicLetters,2015,vol.17,#6,p.1553-1556]

[3]Adriaenssens;JiménezFernández;VandeWalle;Elvas;Joossens;Lambeir;Augustyns;Lamkanfi;VanDerVeken[OrganicandBiomolecularChemistry,2017,vol.15,#35,p.7456-7473]

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[5]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP2409977,2012,A1Locationinpatent:Page/Pagecolumn72

67-56-1

13013-02-0

4220-66-0

[1]Locationinpatent:schemeortableDavies,StephenG.;Roberts,PaulM.;Stephenson,PeterT.;Storr,HelenR.;Thomson,JamesE.[Tetrahedron,2009,vol.65,#39,p.8283-8296]

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67-56-1

88-14-2

4220-66-0

[1]Iwasaki,Tameo;Nishitani,Takashi;Horikawa,Hiroshi;Inoue,Ichizo[JournalofOrganicChemistry,1982,vol.47,#19,p.3799-3802]

4220-66-0 | Methyl 4,4-dimethoxybutanoate