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5457-44-3,MFCD00008467
Catalog No.:AA00DBXB

5457-44-3 | DIMETHYL 3-OXOADIPATE

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$52.00   $36.00
- +
5g
95%
in stock  
$215.00   $151.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00DBXB
Chemical Name:
DIMETHYL 3-OXOADIPATE
CAS Number:
5457-44-3
Molecular Formula:
C8H12O5
Molecular Weight:
188.1779
MDL Number:
MFCD00008467
SMILES:
COC(=O)CCC(=O)CC(=O)OC
NSC Number:
24878
Properties
Properties
 
BP:
122 °C(Press: 0.5 Torr)  
Form:
Solid  
Refractive Index:
n20/D 1.444  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
209  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Rotatable Bond Count:
7  
XLogP3:
-0.3  

Downstream Synthesis Route

[1]Korman[JournalofOrganicChemistry,1957,vol.22,p.849]Bardhan[JournaloftheChemicalSociety,1936,p.1848,1850]

[2]Nasipuri,D.;Roy,J.[JournaloftheChemicalSociety,1960,p.1571-1575]

63469-51-2    5457-44-3   
3-(7-methoxy-2-methoxycarbonyl-3,4-dihydro-1phenanthryl)-propionicacid 
 
3-(7-methoxy-2-methoxycarbonyl-3,4-dihydro-1phenanthryl)-propionicacidmethylester 

[1]Bachmann;Holmen[JournaloftheAmericanChemicalSociety,1951,vol.73,p.3660,3663]

[1]Shaw;Hager[JournaloftheAmericanChemicalSociety,1959,vol.81,p.1011]Shawetal.[JournalofBiologicalChemistry,1959,vol.234,p.2560,2561]

[1]Zav'yalev,S.I.;Zavozin,A.G.;Kravchenko,N.E.[BulletinoftheAcademyofSciencesoftheUSSRDivisionofChemicalScience,1991,vol.40,#5.2,p.1104-1106][IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1991,vol.40,#5,p.1227-1229]

[1]Zav'yalev,S.I.;Zavozin,A.G.;Kravchenko,N.E.[BulletinoftheAcademyofSciencesoftheUSSRDivisionofChemicalScience,1991,vol.40,#5.2,p.1104-1106][IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1991,vol.40,#5,p.1227-1229]

Literature

Title: Three new furan derivatives and a new fatty acid from a Taiwanese marine sponge Plakortis simplex.

Journal: Journal of natural products 20010301

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