Lot numbers can be found on the outside label of a product:
4-Amino-2-(methylthio)pyrimidine-5-carbaldehyde
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CAS No. 770-31-0
- Cat. No. CS-W003536
- Purity≥97%
- MDL No.MFCD08669438
*For research and further manufacturing use only, not for direct human use.
Structure of 770-31-0
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General Information
- CAS No. 770-31-0
- Cat. No. CS-W003536
- Purity ≥97%
- MDL No. MFCD08669438
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₇N₃OS
- Molecular Weight 169.20
- Synonym(s) 5-Pyrimidinecarboxaldehyde, 4-amino-2-(methylthio)-
- SMILES CSc1ncc(c(n1)N)C=O
Description
4-Amino-2-(methylthio)pyrimidine-5-carbaldehyde features a bifunctional scaffold integrating an electron-rich amino group and a reactive aldehyde moiety. This arrangement enables direct coupling in multistep syntheses, particularly useful for constructing heterocyclic frameworks in medicinal chemistry. The methylthio substituent enhances solubility and metabolic stability, while the aldehyde facilitates conjugation under mild conditions.
Application
4-Amino-2-(methylthio)pyrimidine-5-carbaldehyde serves as a versatile building block in heterocyclic synthesis, enabling efficient access to pyrimidine-based scaffolds. Its amino and aldehyde functionalities support sequential functionalization, while the methylthio group offers orthogonal reactivity for further derivatization. The compound exhibits good bench stability and facilitates purification via standard chromatographic methods, making it well-suited for medicinal chemistry campaigns and API intermediate development.
Synthesis
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Route1
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In-stock
588-36-3 - ~98%
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In-stock
770-31-0
References
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Barvian; Boschelli; Cossrow; Dobrusin; Fattaey; Fritsch; Fry; Harvey; Keller; Garrett; La; Leopold; McNamara; Quin; Trumpp-Kallmeyer; Toogood; Wu; Zhang Journal of Medicinal Chemistry, 2000 , vol. 43, # 24 p. 4606 - 4616
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Route2
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105161-35-1 -
74-88-4 - ~96%
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In-stock
770-31-0
References
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Goldstein, David M.; Soth, Michael; Gabriel, Tobias; Dewdney, Nolan; Kuglstatter, Andreas; Arzeno, Humberto; Chen, Jeffrey; Bingenheimer, William; Dalrymple, Stacie A.; Dunn, James; Farrell, Robert; Frauchiger, Sandra; La Fargue, Joann; Ghate, Manjiri; Graves, Bradford; Hill, Ronald J.; Li, Fujun; Litman, Renee; Loe, Brad; McIntosh, Joel; McWeeney, Daniel; Papp, Eva; Park, Jaehyeon; Reese, Harlan F.; Roberts, Richard T.; Rotstein, David; San Pablo, Bong; Sarma, Keshab; Stahl, Martin; Sung, Man-Ling; Suttman, Rebecca T.; Sjogren, Eric B.; Tan, Yunchou; Trejo, Alejandra; Welch, Mary; Weller, Paul; Wong, Brian R.; Zecic, Hasim Journal of Medicinal Chemistry, 2011 , vol. 54, # 7 p. 2255 - 2265
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Route3
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In-stock
770-30-9 - ~54%
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In-stock
770-31-0
References
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IRM LLC Patent: WO2005/34869 A2, 2005 ; Location in patent: Page/Page column 31 ; WO 2005/034869 A2
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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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 : H302-H315-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 69.6
- LogP 0.42357
- H_Acceptors 4
- H_Donors 2
- Rotatable_Bonds 2
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Key Words
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