115-44-6

Basic information

• Product Name: TALBUTAL CIII (250 MG)
• Synonyms: TALBUTAL CIII (250 MG);2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylpropyl)-5-(2-propenyl)-;2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methypropyl)-5-(2-propenyl)-;5-(1-Methylpropyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione;5-(1-methylpropyl)-5-(2-propenyl)-2,4-6(1h,3h,5h)-pyrimidinetrione;5-Allyl-5-(1-methylpropyl) barbituric acid;5-allyl-5-(1-methylpropyl)barbituricacid;5-Allyl-5-sec-butyl-2,4,6(1H,3H,5H)-pyrimidinetrione
• CAS NO: 115-44-6
• Molecular Formula: C₁₁H₁₆N₂O₃
• Molecular Weight: 224.25634
• EINECS: 204-090-4
• Product Categories: Heterocycles;Intermediates & Fine Chemicals;Neurochemicals;Pharmaceuticals
• Mol File: 115-44-6.mol
• Article Data: 0

Chemical Properties

• Melting Point: 108-110°
• Boiling Point: 365.66°C (rough estimate)
• Flash Point: °C
• Appearance: /
• Density: 1.1672 (rough estimate)
• Vapor Pressure: 0.000384mmHg at 25°C
• Refractive Index: 1.5000 (estimate)
• Water Solubility: 2.16g/L(temperature not stated)
• CAS DataBase Reference: TALBUTAL CIII (250 MG)(CAS DataBase Reference)
• NIST Chemistry Reference: TALBUTAL CIII (250 MG)(115-44-6)
• EPA Substance Registry System: TALBUTAL CIII (250 MG)(115-44-6)

Safety Data

• RIDADR: 3249
• HazardClass: 6.1(b)
• PackingGroup: III
• Hazardous Substances Data: 115-44-6(Hazardous Substances Data)

Usage

Chemical Properties

White Solid

Uses

A stuctural isomer of Butalbital (B690100). A short to intermediate-acting barbiturate that act as nonselective depressants of the central nervous system (CNS). Sedative, hypnotic. Controlled Substance.

Brand name

Lotusate (Sanofi Aventis).

InChI:InChI=1/C13H20N2O3/c1-6-8-13(9(3)7-2)10(16)14(4)12(18)15(5)11(13)17/h6,9H,1,7-8H2,2-5H3

Synthetic route

s-butyl bromide (78-76-2, 5787-31-5) + 5-allyl-pyrimidine-2,4,6-trione (2565-43-7) → talbutal (115-44-6)

Conditions	Yield
With sodium hydroxide

(+-)-allyl-sec-butyl-malonic acid diethyl ester → talbutal (115-44-6)

Conditions	Yield
With sodium ethanolate; urea

talbutal (115-44-6) → allyl-sec-butyl-malonic acid-monoureide

Conditions	Yield
With alkaline solution

talbutal (115-44-6) → Allyl-(1-methylpropyl)-acetamid (90949-61-4)

Conditions	Yield
With ammonia at 200℃;

Upstream product

• 78-76-2 s-butyl bromide 
• 2565-43-7 5-allyl-pyrimidine-2,4,6-trione