Beclotiamine
[CAS# 13471-78-8]

Identification

• Name: Beclotiamine
• Synonyms: 5-[[5-(2-Chloroethyl)-4-Methyl-Thiazol-3-Ium-3-Yl]Methyl]-2-Methyl-Pyrimidin-4-Amine Chloride; 5-[[5-(2-Chloroethyl)-4-Methyl-3-Thiazol-3-Iumyl]Methyl]-2-Methyl-4-Pyrimidinamine Chloride; [5-[[5-(2-Chloroethyl)-4-Methyl-Thiazol-3-Ium-3-Yl]Methyl]-2-Methyl-Pyrimidin-4-Yl]Amine Chloride
• Molecular Formula: C₁₂H₁₆Cl₂N₄S
• Molecular Weight: 319.25
• CAS Registry Number: 13471-78-8 (20166-17-0)
• SMILES: C1=[N+](C(=C(CCCl)S1)C)CC2=C(N=C(C)N=C2)N.[Cl-]
• InChI: 1S/C12H16ClN4S.ClH/c1-8-11(3-4-13)18-7-17(8)6-10-5-15-9(2)16-12(10)14;/h5,7H,3-4,6H2,1-2H3,(H2,14,15,16);1H/q+1;/p-1
• InChIKey: BPEQAFGUCPPRIB-UHFFFAOYSA-M

References

• (1): Duncan Carmichael, Xavier F. Le Goff and Eric Muller. Studies of how redox chemistry influences the synthesis of transition metal phosphametallocenes: a convenient synthesis of 2,5-diester-substituted phosphametallocenes and 2,2′,5,5′-tetraester-substituted-1,1′-diphosphaferrocenes, New J. Chem., 2010, 34, 1341.