1-Ethyltheobromine
Other Names:

• 1-Ethyl theobromine

• 1-Ethyl-3,7-dimethylxanthine

• Theobromine derivative

CAS Number: 39832-36-5
Sum Formula: C₉H₁₂N₄O₂
Molar Mass: 208.22 g/mol
Appearance: White to off-white crystalline powder

1-Ethyltheobromine is a methylxanthine derivative structurally related to theobromine, featuring an ethyl substituent at the N1-position. As a substituted xanthine compound, it is of interest in chemical and pharmacological research, particularly in the study of xanthine analogues and purine-based synthesis.

Chemical and Physical Properties
Density: Approx. 1.3 g/cm³ (estimated)
Melting Point: ~210–215°C (literature range)
Boiling Point: Decomposes before boiling
Solubility in Water: Slightly soluble
Solubility in Other Solvents: Soluble in hot ethanol, DMSO, and dilute acids
Odor: Odorless or faint characteristic

Applications
Organic Synthesis: Intermediate in the synthesis of purine analogues and other substituted xanthines.
Chemical Research: Used in structure–activity relationship (SAR) studies involving methylxanthines.
Materials Chemistry: Investigated in the context of heterocyclic functional materials and complex formation.
Purine Chemistry: Studied for its modified xanthine backbone and bioisosteric properties.

Safety
Signal Word: Warning

Hazard Statements:
H302: Harmful if swallowed
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation

Precautionary Statements – Prevention:
P261: Avoid breathing dust
P264: Wash hands thoroughly after handling
P271: Use only outdoors or in a well-ventilated area
P280: Wear protective gloves and eye protection

Precautionary Statements – Response:
P301+P312: IF SWALLOWED: Call a POISON CENTER or doctor if you feel unwell
P302+P352: IF ON SKIN: Wash with plenty of water
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing
P337+P313: If eye irritation persists: Get medical advice/attention

Handling and Storage
Storage Conditions: Store in a tightly sealed container in a cool, dry, and well-ventilated area. Protect from excessive heat and light.
Handling Precautions: Avoid dust formation and direct contact. Use appropriate PPE and laboratory hygiene practices when handling.

_{WARNING: THIS PRODUCT IS NOT FOR HUMAN CONSUMPTION, THIS PRODUCT IS FOR CAFFEINE ANALOGUE RESEARCH PURPOSES ONLY.}