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40061-55-0,MFCD00017273
Catalog No.:AA003Q5D

40061-55-0 | Ethyl 3-methylphenylacetate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$42.00   $29.00
- +
1g
98%
in stock  
$65.00   $45.00
- +
10g
>98.0%(GC)
in stock  
$218.00   $152.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003Q5D
Chemical Name:
Ethyl 3-methylphenylacetate
CAS Number:
40061-55-0
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD00017273
SMILES:
CCOC(=O)Cc1cccc(c1)C
NSC Number:
80677
Properties
Properties
 
BP:
246°C at 760 mmHg  
Form:
Liquid  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
166  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.6  

Downstream Synthesis Route

[1]Brown,H.C.;Kim,C.J.[JournaloftheAmericanChemicalSociety,1968,vol.90,p.2082-2096]

[1]CurrentPatentAssignee:TESPHARMA-WO2020/104456,2020,A1Locationinpatent:Paragraph00477

[2]Green,SebastianP.;Wheelhouse,KatherineM.;Payne,AndrewD.;Hallett,JasonP.;Miller,PhilipW.;Bull,JamesA.[OrganicProcessResearchandDevelopment,2020,vol.24,#1,p.67-84]

[3]CurrentPatentAssignee:INTELLECTUALVENTURES,LLC-US2011/195954,2011,A1Locationinpatent:Page/Pagecolumn88

[4]Benaissa,Idir;Pallova,Lenka;Morantin,Marie-Emilie;Lafitte,Thomas;Huynh,Mathieu;Barthes,Cécile;Vendier,Laure;Lugan,Noël;Bastin,Stéphanie;César,Vincent[Chemistry-AEuropeanJournal,2019,vol.25,#56,p.13030-13036]

[5]Brown,H.C.;Kim,C.J.[JournaloftheAmericanChemicalSociety,1968,vol.90,p.2082-2096]

[6]Mori,Hisashi;Wada,Ryogo;Takahara,Satoyuki;Horino,Yoshikazu;Izumi,Hironori;Ishimoto,Tetsuya;Yoshida,Tomoyuki;Mizuguchi,Mineyuki;Obita,Takayuki;Gouda,Hiroaki;Hirono,Shuichi;Toyooka,Naoki[BioorganicandMedicinalChemistry,2017,vol.25,#14,p.3736-3745]

[7]Estrada,CarlD.;Ang,HweeTing;Vetter,Kim-Marie;Ponich,AshleyA.;Hall,DennisG.[JournaloftheAmericanChemicalSociety,2021]

[8]Chen,Liang;Gao,Meng;Lu,Cuifen;Ma,Chao;Ruan,Mengyao;Wen,Ziyang;Yang,Fan;Yang,Guichun[ChemicalCommunications,2022,vol.58,#13,p.2168-2171]

[1]Alper,Howard;Antebi,Shlomo;Woell,JamesB.[AngewandteChemie,1984,vol.96,#9,p.710-711]

[1]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1996,vol.35,p.785-789

[1]AngewandteChemie-InternationalEdition,2005,vol.44,p.5284-5288

[2]Organometallics,2011,vol.30,p.2855-2860

[3]AngewandteChemie-InternationalEdition,2016,vol.55,p.6530-6534    Angew.Chem.,2016,vol.128,p.6640-6644,5

[4]Organometallics,2017,vol.36,p.172-179

Literature
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SDS
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Tags:40061-55-0 Molecular Formula|40061-55-0 MDL|40061-55-0 SMILES|40061-55-0 Ethyl 3-methylphenylacetate
Catalog No.: AA003Q5D
40061-55-0,MFCD00017273
40061-55-0 | Ethyl 3-methylphenylacetate
Pack Size： 250mg
Purity： 98%
in stock
$42.00 $29.00
Pack Size： 1g
Purity： 98%
in stock
$65.00 $45.00
Pack Size： 10g
Purity： >98.0%(GC)
in stock
$218.00 $152.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA003Q5D
Chemical Name: Ethyl 3-methylphenylacetate
CAS Number: 40061-55-0
Molecular Formula: C11H14O2
Molecular Weight: 178.2277
MDL Number: MFCD00017273
SMILES: CCOC(=O)Cc1cccc(c1)C
NSC Number: 80677
Properties
BP: 246°C at 760 mmHg  
Form: Liquid  
Storage: Keep in dry area;Room Temperature;  
Complexity: 166  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.6  
Downstream Synthesis Route
917-64-6    40061-55-0    1754-70-7 

[1]Brown,H.C.;Kim,C.J.[JournaloftheAmericanChemicalSociety,1968,vol.90,p.2082-2096]

64-17-5    621-36-3    40061-55-0 

[1]CurrentPatentAssignee:TESPHARMA-WO2020/104456,2020,A1Locationinpatent:Paragraph00477

[2]Green,SebastianP.;Wheelhouse,KatherineM.;Payne,AndrewD.;Hallett,JasonP.;Miller,PhilipW.;Bull,JamesA.[OrganicProcessResearchandDevelopment,2020,vol.24,#1,p.67-84]

[3]CurrentPatentAssignee:INTELLECTUALVENTURES,LLC-US2011/195954,2011,A1Locationinpatent:Page/Pagecolumn88

[4]Benaissa,Idir;Pallova,Lenka;Morantin,Marie-Emilie;Lafitte,Thomas;Huynh,Mathieu;Barthes,Cécile;Vendier,Laure;Lugan,Noël;Bastin,Stéphanie;César,Vincent[Chemistry-AEuropeanJournal,2019,vol.25,#56,p.13030-13036]

[5]Brown,H.C.;Kim,C.J.[JournaloftheAmericanChemicalSociety,1968,vol.90,p.2082-2096]

[6]Mori,Hisashi;Wada,Ryogo;Takahara,Satoyuki;Horino,Yoshikazu;Izumi,Hironori;Ishimoto,Tetsuya;Yoshida,Tomoyuki;Mizuguchi,Mineyuki;Obita,Takayuki;Gouda,Hiroaki;Hirono,Shuichi;Toyooka,Naoki[BioorganicandMedicinalChemistry,2017,vol.25,#14,p.3736-3745]

[7]Estrada,CarlD.;Ang,HweeTing;Vetter,Kim-Marie;Ponich,AshleyA.;Hall,DennisG.[JournaloftheAmericanChemicalSociety,2021]

[8]Chen,Liang;Gao,Meng;Lu,Cuifen;Ma,Chao;Ruan,Mengyao;Wen,Ziyang;Yang,Fan;Yang,Guichun[ChemicalCommunications,2022,vol.58,#13,p.2168-2171]

201230-82-2    620-13-3    555-75-9    40061-55-0 

[1]Alper,Howard;Antebi,Shlomo;Woell,JamesB.[AngewandteChemie,1984,vol.96,#9,p.710-711]

40061-55-0    1875-89-4 

[1]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1996,vol.35,p.785-789

623-73-4    108-88-3    14062-19-2    40061-55-0    40291-39-2 

[1]AngewandteChemie-InternationalEdition,2005,vol.44,p.5284-5288

[2]Organometallics,2011,vol.30,p.2855-2860

[3]AngewandteChemie-InternationalEdition,2016,vol.55,p.6530-6534    Angew.Chem.,2016,vol.128,p.6640-6644,5

[4]Organometallics,2017,vol.36,p.172-179

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