Caffeine Formula: Chemical Structure and Physical Properties

Caffeine Formula, a chemical compound and central nervous system stimulant is part of the methylxanthine class and is one of the most commonly used psychoactive drugs. It is legally available worldwide and obtained from various plant sources in Africa, East Asia, and South America. Its primary purpose is to enhance cognitive function by increasing alertness and reducing drowsiness. Coffee is a popular caffeine-containing beverage that people often turn to for an energy boost when feeling sleepy. The IUPAC name for caffeine is 1,3,7-Trimethylpurine-2,6-dione, and its chemical formula is C8H10N4O2.

Caffeine Structure and Chemical Formula

Caffeine, a methylxanthine alkaloid found in various plants from South America and East Asia, has similar structure to adenosine and acts as its antagonist. It binds to adenosine receptors in the central nervous system upon ingestion, hindering adenosine binding. This leads to stimulation of brain centers responsible for medullary, vagal, vasomotor and respiratory activities. Caffeine also increases neurotransmitter release, further enhancing central nervous system activity. Its anti-inflammatory effects are attributed to inhibiting cAMP concentration and leukotriene synthesis, reducing inflammation and boosting natural immunity.

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Preparation of Caffeine

• Several African, East Asian, and South American plants and trees produce caffeine naturally as a methylxanthine alkaloid.
• Dimethylurea and malonic acid can be used to synthesize it.
• In addition, it can be produced by treating theobromine with methyl iodide and sodium methoxide.
• When uric acid is treated with methyl iodide in an alkaline solution, 1,3,7-trimethyluric acid is formed. Further reduction with hydrogen iodide produces chlorocaffeine, which forms caffeine.
• In decaffeination, caffeine, and decaffeinated coffee are produced by extracting caffeine from coffee’s natural sources.

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Properties of Caffeine

Caffeine, a white crystalline substance, is an odorless compound commonly found in the form of fine needles or powder. As a methylxanthine alkaloid, it shares chemical similarities with adenine and guanine, classified as a purine, visible on its structural formula. The molecular and chemical formulas for caffeine are identical, revealing the arrangement of elements within its composition.

The caffeine chemical structure and molecular formula play a role in various physical properties. Its molecular mass is 194.194 g/mol, easily determined from the known formula. In its solid form, caffeine has a 1.23 g/cm3 density. The anhydrous form melts at 227℃ – 228℃, while the monohydrate form melts at slightly higher temperatures of 234℃ – 235℃. Caffeine is soluble in water, as well as in milk and other substances. While it has positive and negative health effects, it is beneficial in treating premature infant breathing disorders and protecting against certain diseases like Parkinson’s disease. Caffeine citrate is listed on the WHO Model list of essential medications for these reasons. Only a small percentage of people experience sleep deprivation from consuming caffeine, which is widely accepted to cause mild drug dependence that can be controlled. Some common withdrawal symptoms include sleepiness, headache, and irritability. Pregnant women are advised to limit their intake to 1-2 cups of coffee per day. Along with stimulating the central nervous system, caffeine also affects some parts of the autonomic nervous system. It should be noted that caffeine is a naturally

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Caffeine Molecule Side Effects

When consumed orally, caffeine is generally considered safe for most healthy adults in moderate doses of up to 400 mg daily, approximately equivalent to four cups of coffee. However, extended or excessive caffeine use may lead to adverse effects such as insomnia, nervousness, stomach discomfort, nausea, and increased heart rate and breathing. Caffeine has been linked to headaches, anxiety, agitation, and pain in larger amounts. It should be noted that very high doses of caffeine can even result in irregular heartbeats and death. Caution must be exercised when using highly concentrated or pure forms of caffeine to avoid potential overdose.

Additionally, individuals with bipolar disorder should carefully monitor their caffeine intake as it may worsen symptoms. A recent case involving a 36-year-old man with controlled manic depression who was hospitalized after consuming multiple energy drinks containing caffeine demonstrates the importance of using caffeine in moderation for those with this condition. There is concern that caffeine may worsen bleeding disorders, so it should be used carefully in these cases. Additionally, caffeine can increase the amount of calcium excreted through urine. If you have osteoporosis or low bone density, limiting caffeine intake to 300 mg per day is recommended. However, if you are generally healthy and consume enough calcium from food or supplements, consuming more than 400 mg of caffeine per day does not appear to increase the risk of developing osteoporosis. Women with a genetic condition that affects how their body uses vitamin D should also be cautious when consuming caffeine, as vitamin D works together with calcium in building strong bones.