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17417-00-4,MFCD12964324
Catalog No.:AA00AS0C

17417-00-4 | 2-Hydroxy-3-methylbutyric acid methyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$11.00   $8.00
- +
1g
95%
in stock  
$58.00   $41.00
- +
2500mg
95%
in stock  
$144.00   $101.00
- +
5g
95%
in stock  
$195.00   $137.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00AS0C
Chemical Name:
2-Hydroxy-3-methylbutyric acid methyl ester
CAS Number:
17417-00-4
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
MDL Number:
MFCD12964324
SMILES:
COC(=O)C(C(C)C)O
Properties
Computed Properties
 
Complexity:
98.5  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
1  
XLogP3:
0.8  

Downstream Synthesis Route

[1]JournalofOrganicChemistry,1993,vol.58,p.4452-4461

[2]JournalofNaturalProducts,2012,vol.75,p.1765-1776

[1]Fritz-Langhals,Elke;Schuetz,Gabi[TetrahedronLetters,1993,vol.34,#2,p.293-296]

[1]Humphrey,AndrewJ.;Turner,NicholasJ.;McCague,Raymond;Taylor,StephenJ.C.[JournaloftheChemicalSociety.Chemicalcommunications,1995,#24,p.2475-2476]

[1]ACH-ModelsinChemistry,1998,vol.135,p.625-640

[2]Patent:WO2005/80371,2005,A1.Locationinpatent:Page/Pagecolumn42

[3]JournaloftheAmericanChemicalSociety,2014,vol.136,p.2851-2857

[1]Qiu,Liqin;Kwong,FukYee;Wu,Jing;Lam,WaiHar;Chan,Shusun;Yu,Wing-Yiu;Li,Yue-Ming;Guo,Rongwei;Zhou,Zhongyuan;Chan,AlbertS.C.[JournaloftheAmericanChemicalSociety,2006,vol.128,#17,p.5955-5965]

Literature
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SDS
Tags:17417-00-4 Molecular Formula|17417-00-4 MDL|17417-00-4 SMILES|17417-00-4 2-Hydroxy-3-methylbutyric acid methyl ester