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89364-41-0,MFCD06260725
Catalog No.:AA003YTQ

89364-41-0 | 1,4-Dioxane-2-carboxylic acid

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100mg
95%
in stock  
$62.00   $43.00
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250mg
95%
in stock  
$91.00   $64.00
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1g
95%
in stock  
$248.00   $174.00
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5g
95%
in stock  
$746.00   $522.00
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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:
AA003YTQ
Chemical Name:
1,4-Dioxane-2-carboxylic acid
CAS Number:
89364-41-0
Molecular Formula:
C5H8O4
Molecular Weight:
132.1146
MDL Number:
MFCD06260725
SMILES:
OC(=O)C1COCCO1
Properties
Properties
 
Form:
Solid  
MP:
83.5-85℃(Solv: carbon tetrachloride (56-23-5))  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
112  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
1  
XLogP3:
-0.7  

Downstream Synthesis Route
89364-41-0    1372187-09-1   
(6R,7R)-tert-butyl6-((1,4-dioxane-2-carboxamido)methyl)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepane-4-carboxylate 

[1]Yukawa,Tomoya;Fujimori,Ikuo;Kamei,Taku;Nakada,Yoshihisa;Sakauchi,Nobuki;Yamada,Masami;Ohba,Yusuke;Ueno,Hiroyuki;Takiguchi,Maiko;Kuno,Masako;Kamo,Izumi;Nakagawa,Hideyuki;Fujioka,Yasushi;Igari,Tomoko;Ishichi,Yuji;Tsukamoto,Tetsuya[BioorganicandMedicinalChemistry,2016,vol.24,#14,p.3207-32174]

89364-41-0    6610-29-3   
5-(1,4-dioxan-2-yl)-4-methyl-4H-1,2,4-triazole-3-thiol 

[1]CurrentPatentAssignee:INDIVIORPLC-WO2017/21920,2017,A1Locationinpatent:Paragraph0514;0515

89364-41-0   
3-(3-chloropropyl)sulfanyl-5-(1,4-dioxan-2-yl)-4-methyl-4H-1,2,4-triazole 

[1]CurrentPatentAssignee:INDIVIORPLC-WO2017/21920,2017,A1

89364-41-0   
6-chloro-4-(2,4-difluorophenyl)picolinonitrile 
  76-05-1   
4-(2,4-difluorophenyl)-6-(1,4-dioxan-2-yl)picolinonitriletrifluoroacetate 
 
4-(2,4-difluorophenyl)-5-(1,4-dioxan-2-yl)picolinonitriletrifluoroacetate 

[1]Zhang,Rui;Li,Guoqing;Wismer,Michael;Vachal,Petr;Colletti,StevenL.;Shi,Zhi-Cai[ACSMedicinalChemistryLetters,2018,vol.9,#7,p.773-777]

Literature

Title: A novel selective peroxisome proliferator-activated receptor alpha agonist, 2-methyl-c-5-[4-[5-methyl-2-(4-methylphenyl)-4-oxazolyl]butyl]-1,3-dioxane-r-2-carboxylic acid (NS-220), potently decreases plasma triglyceride and glucose levels and modifies lipoprotein profiles in KK-Ay mice.

Journal: The Journal of pharmacology and experimental therapeutics 20040601

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Tags:89364-41-0 Molecular Formula|89364-41-0 MDL|89364-41-0 SMILES|89364-41-0 1,4-Dioxane-2-carboxylic acid