1,1,3-Tribromoacetone Chemical Properties

Melting point:

28-29 °C

Boiling point:

114-116 °C(Press: 14 Torr)

Density 

2.561±0.06 g/cm3(Predicted)

storage temp. 

Store at -20°C

solubility 

DMSO : 100 mg/mL (339.25 mM; Need ultrasonic)

form 

Liquid

color 

Colorless to light yellow

InChI

InChI=1S/C3H3Br3O/c4-1-2(7)3(5)6/h3H,1H2

InChIKey

FNYCCOFOQIUTIM-UHFFFAOYSA-N

SMILES

C(Br)(Br)C(=O)CBr

1,1,3-Tribromoacetone Usage And Synthesis

Chemical Properties

White or light yellow solid

Uses

1,1,3-Tribromoacetone is an impurity of Methotrexate (HY-14519). Methotrexate, an antimetabolite and antifolate agent, inhibits the enzyme dihydrofolate reductase, thereby preventing the conversion of folic acid into tetrahydrofolate, and inhibiting DNA synthesis.

Synthesis

150 g of bromine dissolved in 500 ml of glacial acetic acid are added dropwise to a solution containing 210 g of 1,3-dibromoacetone in 500 ml glacial acetic acid at 80-90° C during one hour without additional heating. When the reaction is complete the acetic acid is removed and a forerun in a vacuum afford 180 g of 1,1,3-tribromoacetone (b.p. 114-116/14 mm), and 21 g of 1,1,1,3-tetrabromoacetone (b.p. 132-133°/13 mm).

1,1,3-Tribromoacetone(3475-39-6)Related Product Information

• 2-Propanone, 1,1,1-tribromo-
• 1,1-Dibromoacetone
• 2-Propanone, 1,1-dibromo-3-chloro-
• Methotrexate disodium salt
• Methotrexate
• BROMOACETONE
• 1,1,3,3-TETRABROMOACETONE
• 1,1,3-Tribromoacetone
• 2,3,5,5-TETRABROMO-4,4-DIMETHYLCYCLOPENT-2-EN-1-ONE
• SALOR-INT L165158-1EA
• (Z)-3,3,5,3',3',5'-HEXABROMO-BICYCLOHEXYLIDENE-5,5'-DIENE-2,4,2',4'-TETRAONE