2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazoniol-5-yl]ethyl dihydrogen diphosphate Property

Density 

1.57[at 20℃]

Water Solubility 

77g/L at 20℃

LogP

-4.9 at 20℃

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H317May cause an allergic skin reaction

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P272Contaminated work clothing should not be allowed out of the workplace.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P321Specific treatment (see … on this label).

P333+P313IF SKIN irritation or rash occurs: Get medical advice/attention.

P363Wash contaminated clothing before reuse.

P501Dispose of contents/container to..…

2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazoniol-5-yl]ethyl dihydrogen diphosphate Chemical Properties,Usage,Production

Definition

ChEBI: Thiamine(1+) diphosphate(1-) is an ammonium betaine that is the conjugate base of thiamine(1+) diphosphate arising from the deprotonation of one of the hydroxy groups of the terminal phosphate group. It has a role as a Saccharomyces cerevisiae metabolite and a human metabolite. It is a vitamin B1, an ammonium betaine and a thiamine phosphate. It is a conjugate base of a thiamine(1+) diphosphate. It is a conjugate acid of a thiamine(1+) diphosphate(3-).

Flammability and Explosibility

Not classified

Purification Methods

Cocarboxylase tetrahydrate recrystallises from aqueous Me2CO. [Wenz et al. Justus Liebigs Ann Chem 618 210 1958, UV: Melnick J Biol Chem 131 615 1939, X-ray: Carlisle & Cook Acta Cryst (B) 25 1359 1969.] The hydrochloride salt has m 242-244o(dec), 241-243o(dec) or 239-240o(dec) and crystallises from aqueous HCl/EtOH, EtOH containing HCl or HCl/Me2CO. [Weijlard J Am Chem Soc 63 1160 1941, Synthesis: Weijlard & Tauber J Am Chem Soc 60 2263 1938, Beilstein 27 III/IV 1777.]