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79-91-4,MFCD00022485
Catalog No.:AA003UFM

79-91-4 | Terebic acid

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250mg
95%
in stock  
$26.00   $18.00
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1g
95%
in stock  
$79.00   $55.00
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5g
>98.0%(T)
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$163.00   $114.00
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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:
AA003UFM
Chemical Name:
Terebic acid
CAS Number:
79-91-4
Molecular Formula:
C7H10O4
Molecular Weight:
158.1519
MDL Number:
MFCD00022485
SMILES:
O=C1CC(C(O1)(C)C)C(=O)O
Properties
Properties
 
BP:
203.22°C (rough estimate)  
Form:
Solid  
MP:
175 °C  
Refractive Index:
1.4610 (estimate)  

Computed Properties
 
Complexity:
207  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
1  

Downstream Synthesis Route

[1]JustusLiebigsAnnalenderChemie,1876,vol.180,p.57

[1]Ouchi,Akihiko;Liu,Chuanxiang;Kaneda,Masayuki;Hyugano,Takeshi[EuropeanJournalofOrganicChemistry,2013,#18,p.3807-3816]

[2]Aida,Shin;Terao,Kimitada;Nishiyama,Yasuhiro;Kakiuchi,Kiyomi;Oelgemöller,Michael[TetrahedronLetters,2012,vol.53,#42,p.5578-5581]

[3]Locationinpatent:experimentalpartDondi,Daniele;Protti,Stefano;Albini,Angelo;Carpio,SoniaManas;Fagnoni,Maurizio[GreenChemistry,2009,vol.11,#10,p.1653-1659]

[4]Horner,Leopold;Klaus,Joachim[LiebigsAnnalenderChemie,1981,#5,p.792-810]

[5]Hayakawa,Mamiko;Shirota,Hisashi;Hirayama,Souta;Yamada,Ryuusei;Aoyama,Tadashi;Ouchi,Akihiko[JournalofPhotochemistryandPhotobiologyA:Chemistry,2021,vol.413]

[1]JustusLiebigsAnnalenderChemie,1885,vol.228,p.177

5512-95-8   
2,3-dicyano-4-hydroxy-4-methyl-valericacid 
  861616-63-9    79-91-4 

[1]Birch;Gough;Kon[JournaloftheChemicalSociety,1921,vol.119,p.1326]

[1]JustusLiebigsAnnalenderChemie,1881,vol.208,p.54

Literature

Title: (±)-2,2-Dimethyl-5-oxotetrahydrofuran-3-carboxylic acid (terebic acid): a racemic layered structure.

Journal: Acta crystallographica. Section C, Crystal structure communications 20120801

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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