Lot numbers can be found on the outside label of a product:
(4,6-Dimethylpyrimidin-2-yl)methanol
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CAS No. 54198-72-0
- Cat. No. CS-0153154
- Purity≥98%
- MDL No.MFCD16657415
*For research and further manufacturing use only, not for direct human use.
Structure of 54198-72-0
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General Information
- CAS No. 54198-72-0
- Cat. No. CS-0153154
- Purity ≥98%
- MDL No. MFCD16657415
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₁₀N₂O
- Molecular Weight 138.17
- Synonym(s) 2-Pyrimidinemethanol, 4,6-dimethyl- (9CI)
- SMILES CC1=CC(=NC(=N1)CO)C
Description
(4,6-Dimethylpyrimidin-2-yl)methanol features a pyrimidine core with methyl groups at the 4- and 6-positions, enhancing steric protection and electronic stability. The pendant hydroxymethyl group enables straightforward derivatization, facilitating integration into ligands, catalysts, or bioactive scaffolds under standard conditions.
Application
(4,6-Dimethylpyrimidin-2-yl)methanol serves as a versatile building block in medicinal chemistry, enabling efficient construction of pyrimidine-based scaffolds. Its benzylic alcohol functionality facilitates direct functionalization, including oxidation to carboxylic acids or conversion to esters and ethers, with excellent stability under standard synthetic conditions. The dimethyl substitution pattern enhances solubility and metabolic stability, while the pyrimidine core provides a robust platform for further derivatization in target-oriented synthesis.
Synthesis
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Route1
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91148-70-8 - ~%
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In-stock
54198-72-0
References
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ARROW THERAPEUTICS LIMITED; ASTRAZENECA UK LIMITED; BARNES, Michael, Christopher, Stratton; FLACK, Stephen, Sean; FRASER, Ian; LUMLEY, James, Andrew; PANG, Pui Shan; SPENCER, Keith, Charles; TIBERGHIEN, Nathalie, Anne, Laure; TOMKINSON, Gary, Peter Patent: WO2011/151651 A1, 2011 ; Location in patent: Page/Page column 78-79 ; WO 2011/151651 A1
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Route2
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27427-89-0 - ~%
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In-stock
54198-72-0
References
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ENVIVO PHARMACEUTICALS, INC.; RIPKA, Amy; SHAPIRO, Gideon; MCRINER, Andrew, J.; BURSAVICH, Matthew, Gregory Patent: WO2013/142269 A1, 2013 ; Location in patent: Paragraph 0589; 0590; 0591 ;
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Route3
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In-stock
1558-17-4 -
67-56-1
- ~94%
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In-stock
54198-72-0
References
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Sakamoto, Takao; Tanji, Ken-Ichi; Niitsuma, Setsuko; Ono, Takayasu; Yamanaka, Hiroshi Chemical and Pharmaceutical Bulletin, 1980 , vol. 28, # 11 p. 3362 - 3368
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Safety Information
Download SDS|
GHS Pictogram :
N/A
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GHS No : N/A
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Signal Word : N/A
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : N/A
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Precautionary Statements : N/A
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Quality Control
Computational Chemistry Data
- TPSA 46.01
- LogP 0.58574
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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