1,6-Dimethyl-1h,4h,5h-pyrazolo[3,4-d]pyrimidin-4-one

Name: 1,6-Dimethyl-1h,4h,5h-pyrazolo[3,4-d]pyrimidin-4-one
Brand: ChemScene
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CAS No. 57121-52-5
Cat. No. CS-0250479
Molecule weight164.16
Purity98+%
MDL No.None

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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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1,6-Dimethyl-1h,4h,5h-pyrazolo[3,4-d]pyrimidin-4-one|CS-0250479

Structure of 57121-52-5

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General Information

CAS No. 57121-52-5
Cat. No. CS-0250479
Purity 98+%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₈N₄O
Molecular Weight 164.16
Synonym(s) 1,6-Dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one
SMILES CC1=NC2=C(C=NN2C)C(=N1)O

Synthesis

Route1
- In-stock
  
  18213-75-7
- 141-78-6
- ~85%
- 57121-52-5
References
- Miyashita, Akira; Iijima, Chihoko; Higashino, Takeo; Matsuda, Hideaki Heterocycles, 1990 , vol. 31, # 7 p. 1309 - 1314
Route2
- In-stock
  
  18213-75-7
- 64-19-7
- ~73%
- 57121-52-5
References
- Reddy, K Hemender; Reddy, A Panduranga; Veeranagaiah, V Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1992 , vol. 31, # 3 p. 163 - 166

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 63.83
LogP 0.37732
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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1,6-Dimethyl-1h,4h,5h-pyrazolo[3,4-d]pyrimidin-4-one

CAS No. 57121-52-5

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Synthesis

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