2-Methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

Name: 2-Methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
Brand: ChemScene
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CAS No. 691868-52-7
Cat. No. CS-0484187
Molecule weight245.16
Purity≥98%
MDL No.MFCD03102467

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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2-Methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid|CS-0484187

Structure of 691868-52-7

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General Information

CAS No. 691868-52-7
Cat. No. CS-0484187
Purity ≥98%
MDL No. MFCD03102467
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₆F₃N₃O₂
Molecular Weight 245.16
Synonym(s) None
SMILES CC1=NN2C(=C1)N=CC(C(O)=O)=C2C(F)(F)F

Synthesis

Route1
- In-stock
  
  571-55-1
- In-stock
  
  31230-17-8
- ~43%
- 691868-52-7
References
- Kato, Noriyasu; Oka, Mitsuru; Murase, Takayo; Yoshida, Masahiro; Sakairi, Masao; Yamashita, Satoko; Yasuda, Yoshika; Yoshikawa, Aya; Hayashi, Yuuji; Makino, Mitsuhiro; Takeda, Motohiro; Mirensha, Yakufu; Kakigami, Takuji Bioorganic and Medicinal Chemistry, 2011 , vol. 19, # 23 p. 7221 - 7227
Route2
- 691868-72-1
- ~%
- 691868-52-7
References
- SANWA KAGAKU KENKYUSHO CO., LTD. Patent: EP1595866 A1, 2005 ; Location in patent: Page/Page column 14 ;

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

TPSA 67.49
LogP 1.75472
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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2-Methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

CAS No. 691868-52-7

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General Information

Synthesis

References