1-(2,4-Dimethylphenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-ol

Name: 1-(2,4-Dimethylphenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-ol
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CAS No. 852313-95-2
Cat. No. CS-0280286
Purity≥98%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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1-(2,4-Dimethylphenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-ol|CS-0280286

Structure of 852313-95-2

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General Information

CAS No. 852313-95-2
Cat. No. CS-0280286
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₁₂N₄O
Molecular Weight 240.26
Synonym(s) 1-(2,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one
SMILES CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)O)C

Synthesis

Route1
- 852313-94-1
- ~%
- 852313-95-2
References
- ARROW THERAPEUTICS LIMITED Patent: WO2005/47288 A1, 2005 ; Location in patent: Page/Page column 23-24 ; WO 2005/047288 A1
Route2
- 852313-94-1
- 77287-34-4
- ~91%
- 852313-95-2
References
- Niswender, Colleen M.; Lebois, Evan P.; Luo, Qingwei; Kim, Kwangho; Muchalski, Hubert; Yin, Huiyong; Conn, P. Jeffrey; Lindsley, Craig W. Bioorganic and Medicinal Chemistry Letters, 2008 , vol. 18, # 20 p. 5626 - 5630

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

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Computational Chemistry Data

TPSA 63.83
LogP 2.13794
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-(2,4-Dimethylphenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-ol

CAS No. 852313-95-2

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Synthesis

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