25126-93-6,MFCD00145425
Catalog No.:AA002QHX

25126-93-6 | Trans-3-hexenedioic acid dimethyl ester

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Purity
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1g
95%
in stock  
$79.00   $55.00
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5g
>98.0%(GC)
in stock  
$158.00   $111.00
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25g
>98.0%(GC)
in stock  
$392.00   $275.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA002QHX
Chemical Name:
Trans-3-hexenedioic acid dimethyl ester
CAS Number:
25126-93-6
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
MDL Number:
MFCD00145425
SMILES:
COC(=O)C/C=C/CC(=O)OC
NSC Number:
222824
Properties
Properties
 
BP:
221.4°C at 760 mmHg  
Form:
Liquid  
MP:
17°C  
Refractive Index:
1.4470 to 1.4500  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
164  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
6  
XLogP3:
0.5  

Downstream Synthesis Route

[1]Hoppen,Sabine;Baeurle,Stefan;Koert,Ulrich[Chemistry-AEuropeanJournal,2000,vol.6,#13,p.2382-2396]

[2]CurrentPatentAssignee:CENTRENATIONALDELARECHERCHESCIENTIFIQUE;UNIVERSITYOFSTRASBOURG-WO2008/21213,2008,A1Locationinpatent:Page/Pagecolumn146

[3]Triantafyllakis,Myron;Tofi,Maria;Montagnon,Tamsyn;Kouridaki,Antonia;Vassilikogiannakis,Georgios[OrganicLetters,2014,vol.16,#11,p.3150-3153]

[4]Braddock,D.Christopher;Bhuva,Roshni;Millan,DavidS.;Perez-Fuertes,Yolanda;Roberts,CraigA.;Sheppard,RichardN.;Solanki,Savade;Stokes,ElaineS.E.;White,AndrewJ.P.[OrganicLetters,2007,vol.9,#3,p.445-448]

[5]Ruggles,ErikL.;Hondal,RobertJ.[TetrahedronLetters,2006,vol.47,#25,p.4281-4284]

[6]Locationinpatent:experimentalpartRuggles,ErikL.;Deker,P.Bruce;Hondal,RobertJ.[Tetrahedron,2009,vol.65,#7,p.1257-1267]

[7]Su,Ye-Xiang;Dai,Wei-Min[Tetrahedron,2018,vol.74,#13,p.1546-1554]

[8]Aggarwal,VarinderK.;Butts,CraigP.;Davy,Matthew;Dutton,OliverJ.;Guo,Lin;Kucukdisli,Murat;Myers,EddieL.;Wagnières,Olivier[JournaloftheAmericanChemicalSociety,2021,vol.143,#40,p.16682-16692]

[9]Gassman,PaulG.;Bonser,StevenM.;Mlinaric-Majerski,Kata[JournaloftheAmericanChemicalSociety,1989,vol.111,#7,p.2652-2662]

[10]Gassman,PaulG.;Mlinaric-Majerski,Kata[JournalofOrganicChemistry,1986,vol.51,#12,p.2397-2398]

[11]CurrentPatentAssignee:ASTRAZENECAPLC-US2019/194190,2019,A1Locationinpatent:Paragraph0710-0712

[12]Lipshutz,BruceH.;Shin,Young-Jun[TetrahedronLetters,1998,vol.39,#39,p.7017-7020]

[13]Baldwin,JackE.;James,DelythA.;Lee,Victor[TetrahedronLetters,2000,vol.41,#5,p.733-736]

[14]Locationinpatent:experimentalpartEnholm,J.Eric;Low,Tammy;Cooper,Daniel;Ghivirija,Ion[Tetrahedron,2012,vol.68,#34,p.6920-6927]

[15]CurrentPatentAssignee:NIMBUSTITAN-WO2020/132582,2020,A1Locationinpatent:Paragraph00687

[16]Wittig,G.;Wingler,F.[ChemischeBerichte,1964,vol.97,p.2146-2164]

[17]Green,NoraS.;Palaninathan,SatheeshK.;Sacchettini,JamesC.;Kelly,JefferyW.[JournaloftheAmericanChemicalSociety,2003,vol.125,#44,p.13404-13414]

[18]McNaughton,BrianR.;Bucholtz,KevinM.;Camaano-Moure,Ana;Miller,BenjaminL.[OrganicLetters,2005,vol.7,#4,p.733-736]

[1]McNaughton,BrianR.;Bucholtz,KevinM.;Camaano-Moure,Ana;Miller,BenjaminL.[OrganicLetters,2005,vol.7,#4,p.733-736]

[2]Triantafyllakis,Myron;Tofi,Maria;Montagnon,Tamsyn;Kouridaki,Antonia;Vassilikogiannakis,Georgios[OrganicLetters,2014,vol.16,#11,p.3150-3153]

[3]Ruggles,ErikL.;Hondal,RobertJ.[TetrahedronLetters,2006,vol.47,#25,p.4281-4284]

[4]Locationinpatent:experimentalpartRuggles,ErikL.;Deker,P.Bruce;Hondal,RobertJ.[Tetrahedron,2009,vol.65,#7,p.1257-1267]

[5]Salacz,Laura;Charpentier,Cyrille;Suffert,Jean;Girard,Nicolas[JournalofOrganicChemistry,2017,vol.82,#4,p.2257-2262]

[6]Braddock,D.Christopher;Bhuva,Roshni;Millan,DavidS.;Perez-Fuertes,Yolanda;Roberts,CraigA.;Sheppard,RichardN.;Solanki,Savade;Stokes,ElaineS.E.;White,AndrewJ.P.[OrganicLetters,2007,vol.9,#3,p.445-448]

[7]Edvinsson,Sofie;Johansson,Susanne;Larsson,Andreas[TetrahedronLetters,2012,vol.53,#50,p.6819-6821]

[8]Hoppen,Sabine;Baeurle,Stefan;Koert,Ulrich[Chemistry-AEuropeanJournal,2000,vol.6,#13,p.2382-2396]

[9]Su,Ye-Xiang;Dai,Wei-Min[Tetrahedron,2018,vol.74,#13,p.1546-1554]

[10]Baldwin,JackE.;James,DelythA.;Lee,Victor[TetrahedronLetters,2000,vol.41,#5,p.733-736]

[11]Rajendra,G.;Miller,MarvinJ.[TetrahedronLetters,1987,vol.28,#50,p.6257-6260]

[12]Black,KennethD.;Gunstone,FrankD.[ChemistryandPhysicsofLipids,1996,vol.79,#1,p.79-86]

[13]Aggarwal,VarinderK.;Butts,CraigP.;Davy,Matthew;Dutton,OliverJ.;Guo,Lin;Kucukdisli,Murat;Myers,EddieL.;Wagnières,Olivier[JournaloftheAmericanChemicalSociety,2021,vol.143,#40,p.16682-16692]

[14]Gassman,PaulG.;Bonser,StevenM.;Mlinaric-Majerski,Kata[JournaloftheAmericanChemicalSociety,1989,vol.111,#7,p.2652-2662]

[15]Gassman,PaulG.;Mlinaric-Majerski,Kata[JournalofOrganicChemistry,1986,vol.51,#12,p.2397-2398]

[16]Gassman,P.G.;Bonser,S.M.[JournaloftheAmericanChemicalSociety,1983,vol.105,p.667]

[17]Locationinpatent:experimentalpartEnholm,J.Eric;Low,Tammy;Cooper,Daniel;Ghivirija,Ion[Tetrahedron,2012,vol.68,#34,p.6920-6927]

[18]DiMaio;Gibbs;Lefebvre;Konishi;Munn;ShiYiYue;Hornberger[JournalofMedicinalChemistry,1992,vol.35,#18,p.3331-3341]

[19]Groth,Ulrich;Halfbrodt,Wolfgang;Koehler,Thomas;Kreye,Paul[LiebigsAnnalenderChemie,1994,#9,p.885-890]

[20]Mohr,Peter;Roesslein,Lukas;Tamm,Christoph[TetrahedronLetters,1989,vol.30,#19,p.2513-2516]

[1]Gassman,PaulG.;Bonser,StevenM.;Mlinaric-Majerski,Kata[JournaloftheAmericanChemicalSociety,1989,vol.111,#7,p.2652-2662]

[2]Gassman,P.G.;Bonser,S.M.[JournaloftheAmericanChemicalSociety,1983,vol.105,p.667]

[1]Oehme,G.;Pracejus,H.[JournalfurpraktischeChemie(Leipzig1954),1980,vol.322,#5,p.798-808]

Literature
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SDS
Tags:25126-93-6 Molecular Formula|25126-93-6 MDL|25126-93-6 SMILES|25126-93-6 Trans-3-hexenedioic acid dimethyl ester
Catalog No.: AA002QHX
25126-93-6,MFCD00145425
25126-93-6 | Trans-3-hexenedioic acid dimethyl ester
Pack Size: 1g
Purity: 95%
in stock
$79.00 $55.00
Pack Size: 5g
Purity: >98.0%(GC)
in stock
$158.00 $111.00
Pack Size: 25g
Purity: >98.0%(GC)
in stock
$392.00 $275.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA002QHX
Chemical Name: Trans-3-hexenedioic acid dimethyl ester
CAS Number: 25126-93-6
Molecular Formula: C8H12O4
Molecular Weight: 172.1785
MDL Number: MFCD00145425
SMILES: COC(=O)C/C=C/CC(=O)OC
NSC Number: 222824
Properties
BP: 221.4°C at 760 mmHg  
Form: Liquid  
MP: 17°C  
Refractive Index: 1.4470 to 1.4500  
Storage: 2-8℃;  
Complexity: 164  
Covalently-Bonded Unit Count: 1  
Defined Bond Stereocenter Count: 1  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 4  
Rotatable Bond Count: 6  
XLogP3: 0.5  
Downstream Synthesis Route
25126-93-6    71655-17-9 

[1]Hoppen,Sabine;Baeurle,Stefan;Koert,Ulrich[Chemistry-AEuropeanJournal,2000,vol.6,#13,p.2382-2396]

[2]CurrentPatentAssignee:CENTRENATIONALDELARECHERCHESCIENTIFIQUE;UNIVERSITYOFSTRASBOURG-WO2008/21213,2008,A1Locationinpatent:Page/Pagecolumn146

[3]Triantafyllakis,Myron;Tofi,Maria;Montagnon,Tamsyn;Kouridaki,Antonia;Vassilikogiannakis,Georgios[OrganicLetters,2014,vol.16,#11,p.3150-3153]

[4]Braddock,D.Christopher;Bhuva,Roshni;Millan,DavidS.;Perez-Fuertes,Yolanda;Roberts,CraigA.;Sheppard,RichardN.;Solanki,Savade;Stokes,ElaineS.E.;White,AndrewJ.P.[OrganicLetters,2007,vol.9,#3,p.445-448]

[5]Ruggles,ErikL.;Hondal,RobertJ.[TetrahedronLetters,2006,vol.47,#25,p.4281-4284]

[6]Locationinpatent:experimentalpartRuggles,ErikL.;Deker,P.Bruce;Hondal,RobertJ.[Tetrahedron,2009,vol.65,#7,p.1257-1267]

[7]Su,Ye-Xiang;Dai,Wei-Min[Tetrahedron,2018,vol.74,#13,p.1546-1554]

[8]Aggarwal,VarinderK.;Butts,CraigP.;Davy,Matthew;Dutton,OliverJ.;Guo,Lin;Kucukdisli,Murat;Myers,EddieL.;Wagnières,Olivier[JournaloftheAmericanChemicalSociety,2021,vol.143,#40,p.16682-16692]

[9]Gassman,PaulG.;Bonser,StevenM.;Mlinaric-Majerski,Kata[JournaloftheAmericanChemicalSociety,1989,vol.111,#7,p.2652-2662]

[10]Gassman,PaulG.;Mlinaric-Majerski,Kata[JournalofOrganicChemistry,1986,vol.51,#12,p.2397-2398]

[11]CurrentPatentAssignee:ASTRAZENECAPLC-US2019/194190,2019,A1Locationinpatent:Paragraph0710-0712

[12]Lipshutz,BruceH.;Shin,Young-Jun[TetrahedronLetters,1998,vol.39,#39,p.7017-7020]

[13]Baldwin,JackE.;James,DelythA.;Lee,Victor[TetrahedronLetters,2000,vol.41,#5,p.733-736]

[14]Locationinpatent:experimentalpartEnholm,J.Eric;Low,Tammy;Cooper,Daniel;Ghivirija,Ion[Tetrahedron,2012,vol.68,#34,p.6920-6927]

[15]CurrentPatentAssignee:NIMBUSTITAN-WO2020/132582,2020,A1Locationinpatent:Paragraph00687

[16]Wittig,G.;Wingler,F.[ChemischeBerichte,1964,vol.97,p.2146-2164]

[17]Green,NoraS.;Palaninathan,SatheeshK.;Sacchettini,JamesC.;Kelly,JefferyW.[JournaloftheAmericanChemicalSociety,2003,vol.125,#44,p.13404-13414]

[18]McNaughton,BrianR.;Bucholtz,KevinM.;Camaano-Moure,Ana;Miller,BenjaminL.[OrganicLetters,2005,vol.7,#4,p.733-736]

67-56-1    29311-53-3    25126-93-6 

[1]McNaughton,BrianR.;Bucholtz,KevinM.;Camaano-Moure,Ana;Miller,BenjaminL.[OrganicLetters,2005,vol.7,#4,p.733-736]

[2]Triantafyllakis,Myron;Tofi,Maria;Montagnon,Tamsyn;Kouridaki,Antonia;Vassilikogiannakis,Georgios[OrganicLetters,2014,vol.16,#11,p.3150-3153]

[3]Ruggles,ErikL.;Hondal,RobertJ.[TetrahedronLetters,2006,vol.47,#25,p.4281-4284]

[4]Locationinpatent:experimentalpartRuggles,ErikL.;Deker,P.Bruce;Hondal,RobertJ.[Tetrahedron,2009,vol.65,#7,p.1257-1267]

[5]Salacz,Laura;Charpentier,Cyrille;Suffert,Jean;Girard,Nicolas[JournalofOrganicChemistry,2017,vol.82,#4,p.2257-2262]

[6]Braddock,D.Christopher;Bhuva,Roshni;Millan,DavidS.;Perez-Fuertes,Yolanda;Roberts,CraigA.;Sheppard,RichardN.;Solanki,Savade;Stokes,ElaineS.E.;White,AndrewJ.P.[OrganicLetters,2007,vol.9,#3,p.445-448]

[7]Edvinsson,Sofie;Johansson,Susanne;Larsson,Andreas[TetrahedronLetters,2012,vol.53,#50,p.6819-6821]

[8]Hoppen,Sabine;Baeurle,Stefan;Koert,Ulrich[Chemistry-AEuropeanJournal,2000,vol.6,#13,p.2382-2396]

[9]Su,Ye-Xiang;Dai,Wei-Min[Tetrahedron,2018,vol.74,#13,p.1546-1554]

[10]Baldwin,JackE.;James,DelythA.;Lee,Victor[TetrahedronLetters,2000,vol.41,#5,p.733-736]

[11]Rajendra,G.;Miller,MarvinJ.[TetrahedronLetters,1987,vol.28,#50,p.6257-6260]

[12]Black,KennethD.;Gunstone,FrankD.[ChemistryandPhysicsofLipids,1996,vol.79,#1,p.79-86]

[13]Aggarwal,VarinderK.;Butts,CraigP.;Davy,Matthew;Dutton,OliverJ.;Guo,Lin;Kucukdisli,Murat;Myers,EddieL.;Wagnières,Olivier[JournaloftheAmericanChemicalSociety,2021,vol.143,#40,p.16682-16692]

[14]Gassman,PaulG.;Bonser,StevenM.;Mlinaric-Majerski,Kata[JournaloftheAmericanChemicalSociety,1989,vol.111,#7,p.2652-2662]

[15]Gassman,PaulG.;Mlinaric-Majerski,Kata[JournalofOrganicChemistry,1986,vol.51,#12,p.2397-2398]

[16]Gassman,P.G.;Bonser,S.M.[JournaloftheAmericanChemicalSociety,1983,vol.105,p.667]

[17]Locationinpatent:experimentalpartEnholm,J.Eric;Low,Tammy;Cooper,Daniel;Ghivirija,Ion[Tetrahedron,2012,vol.68,#34,p.6920-6927]

[18]DiMaio;Gibbs;Lefebvre;Konishi;Munn;ShiYiYue;Hornberger[JournalofMedicinalChemistry,1992,vol.35,#18,p.3331-3341]

[19]Groth,Ulrich;Halfbrodt,Wolfgang;Koehler,Thomas;Kreye,Paul[LiebigsAnnalenderChemie,1994,#9,p.885-890]

[20]Mohr,Peter;Roesslein,Lukas;Tamm,Christoph[TetrahedronLetters,1989,vol.30,#19,p.2513-2516]

75-11-6    25126-93-6    53389-31-4 

[1]Gassman,PaulG.;Bonser,StevenM.;Mlinaric-Majerski,Kata[JournaloftheAmericanChemicalSociety,1989,vol.111,#7,p.2652-2662]

[2]Gassman,P.G.;Bonser,S.M.[JournaloftheAmericanChemicalSociety,1983,vol.105,p.667]

1119-43-3    25126-93-6 

[1]Oehme,G.;Pracejus,H.[JournalfurpraktischeChemie(Leipzig1954),1980,vol.322,#5,p.798-808]

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