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13042-39-2,MFCD09264290
Catalog No.:AA009AHT

13042-39-2 | Isosorbide-2-acetate

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Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$162.00   $113.00
- +
5g
95%
in stock  
$610.00   $427.00
- +
25g
95%
in stock  
$2,007.00   $1,405.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA009AHT
Chemical Name:
Isosorbide-2-acetate
CAS Number:
13042-39-2
Molecular Formula:
C8H12O5
Molecular Weight:
188.1779
MDL Number:
MFCD09264290
SMILES:
CC(=O)O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O
Properties
Computed Properties
 
Complexity:
217  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
-0.8  

Downstream Synthesis Route

[1]Stoss,Peter;Merrath,Peter;Schlueter,Guenther[Synthesis,1987,#2,p.174-176]

[2]LeLem,Gael;Boullanger,Paul;Descotes,Gerard;Wimmer,Eric[BulletindelaSocieteChimiquedeFrance,1988,#3,p.567-570]

[1]Cekovic,Zivorad;Tokic,Zorana[Synthesis,1989,#8,p.610-612]

[1]Seemayer;Bar;Schneider[TetrahedronAsymmetry,1992,vol.3,#9,p.1123-1126]

[2]Zhu,Shi-Guo;Huang,Jia-Xin;Zhang,Gui-Min;Chen,Shao-Xin;Zhang,Fu-Li[OrganicProcessResearchandDevelopment,2018,vol.22,#11,p.1548-1552]

[3]CurrentPatentAssignee:ROCHEHOLDINGAG-US5614643,1997,A

[4]CurrentPatentAssignee:ROCHEHOLDINGAG-US5614643,1997,A

[5]Ader,U;Andersch,P;Berger,M;Goergens,U;Seemayer,R;Schneider,M[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1993,vol.32,#1,p.145-150]

[6]Kielty,Patrick;Smith,DennisA.;Cannon,Peter;Carty,MichaelP.;Kennedy,Michael;McArdle,Patrick;Singer,RichardJ.;Aldabbagh,Fawaz[OrganicLetters,2018,vol.20,#10,p.3025-3029]

[1]Thiyagarajan,Shanmugam;Wu,Jing;Knoop,RutgerJ.I.;VanHaveren,Jacco;Lutz,Martin;VanEs,DaanS.[RSCAdvances,2014,vol.4,#89,p.47937-47950]

[2]Shaikh;Kale;Shaikh,Md.Abrar;Puranik,VedavatiG.;Deshmukh[Tetrahedron,2007,vol.63,#16,p.3380-3388]

[3]CurrentPatentAssignee:ARCHER-DANIELS-MIDLANDCO-WO2009/155020,2009,A2Locationinpatent:Page/Pagecolumn11-12

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-US5614643,1997,A

Literature
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SDS
Tags:13042-39-2 Molecular Formula|13042-39-2 MDL|13042-39-2 SMILES|13042-39-2 Isosorbide-2-acetate