Skip to main content

Theobromine

ADVERTISEMENT
Identification
Molecular formula
C7H8N4O2
CAS number
83-67-0
IUPAC name
7-(2-hydroxyethyl)-1,3-dimethyl-purine-2,6-dione
State
State

At room temperature, theobromine is a solid.

Melting point (Celsius)
357.00
Melting point (Kelvin)
630.15
Boiling point (Celsius)
290.00
Boiling point (Kelvin)
563.15
General information
Molecular weight
180.16g/mol
Molar mass
180.1640g/mol
Density
1.5110g/cm3
Appearence

Theobromine is a colorless or white crystalline powder. It is odorless but has a bitter taste.

Comment on solubility

Solubility of 7-(2-hydroxyethyl)-1,3-dimethyl-purine-2,6-dione

The solubility of 7-(2-hydroxyethyl)-1,3-dimethyl-purine-2,6-dione (C7H8N4O2) can be influenced by various factors due to its structural characteristics. Here are some key points regarding its solubility:

  • Polarity: The presence of hydroxyl (-OH) groups contributes to the compound’s polarity, making it more likely to be soluble in polar solvents such as water.
  • Hydrogen Bonding: The -OH moiety can participate in hydrogen bonding, further facilitating interactions with solvent molecules, enhancing solubility.
  • Solvent Dependence: Its solubility may vary significantly in non-polar solvents, where its presence of nitrogen and additional functional groups might limit compatibility.
  • pH Influence: Changes in pH can affect the ionization state of the compound, potentially increasing or decreasing solubility based on the medium.

In conclusion, while 7-(2-hydroxyethyl)-1,3-dimethyl-purine-2,6-dione is expected to demonstrate reasonable solubility in polar solvents, further experimental data would be valuable to precisely quantify its solubility characteristics across different conditions. This highlights the importance of considering both the chemical structure and environmental factors when evaluating solubility.

Interesting facts

Interesting Facts about 7-(2-hydroxyethyl)-1,3-dimethyl-purine-2,6-dione

This fascinating compound, often recognized by its common name *theophylline*, plays a significant role in both biochemistry and medicine. Here are some key insights that showcase its importance:

  • Classification: 7-(2-hydroxyethyl)-1,3-dimethyl-purine-2,6-dione is classified as a methylxanthine, a class of compounds known for their stimulating properties.
  • Biological Function: This compound is primarily derived from caffeine and is involved in various physiological processes, including bronchodilation, which makes it beneficial for treating conditions like asthma and chronic obstructive pulmonary disease (COPD).
  • Mechanism of Action: Theophylline works by relaxing the smooth muscles of the airways and increasing airflow to the lungs, thereby alleviating symptoms associated with respiratory ailments.
  • Therapeutic Range: While theophylline has therapeutic benefits, it must be administered within a specific dosage range due to its narrow therapeutic index, which underscores the importance of monitoring patients closely.

The influence of this compound extends beyond just its medicinal use. Its structure allows for various modifications that can lead to the development of other derivatives, each with potential therapeutic applications. As a result, compounds like theophylline are intensely researched for new properties and uses, highlighting the dynamic nature of chemical science.

In summary, 7-(2-hydroxyethyl)-1,3-dimethyl-purine-2,6-dione demonstrates the intricate connection between chemical compounds and biological processes. Its therapeutic applications and biochemical importance make it a compound worth studying for both students and professionals in the field of chemistry.

Synonyms
ETOFYLLINE
519-37-9
7-(2-Hydroxyethyl)theophylline
Aethophyllinum
Frekaphyllin
Oxyphylline
Soluphylline
Cordalin
Phyllocormin N
Ascorphylline
Dilaphyllin
Oxytheonyl
Oxyethyltheophylline
Sklerodormal
Bio-phylline
Corophyllin-N
Oxphylline (amido)
1,3-Dimethyl-7-(2-hydroxyethyl)xanthine
Oxyetophyllinum
Etofilina
Oxyphyllin
7-Theophyllineethanol
7-(Hydroxyethyl)theophylline
Hydroxyethyl theophylline
Oxyaethyltheophyllin
7-hydroxyethyltheophylline
Theophylline, 7-(2-hydroxyethyl)-
Etofillina [DCIT]
Etofyllinum
Etofillina
Oxphylline
7-(2-Hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Hydroxyethyltheophylline
7-(2-Hydroxyethyl)-1,3-dimethylxanthine
Etofylline [INN:BAN]
Etofilina [INN-Spanish]
Etofyllinum [INN-Latin]
Oxyaethyltheophyllin [German]
NSC 113373
BRN 0251760
Doxophylline metabolite m4
7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione
beta-hydroxyethyltheophylline
Oxyphyllin (TN)
EINECS 208-269-8
BETA-HYDROXYETHYL THEOPHYLLINE
MFCD00055055
Etofylline (INN)
NSC-113373
UNII-L164909TBI
DTXSID5023031
3,7-Dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-1H-purine-2,6-dione
7-(2'-Hydroxyethyl)theophylline
KT-200G
1H-Purine-2,6-dione, 3,7-dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-
L164909TBI
ETOFYLLINE [MI]
ETOFYLLINE [INN]
7-(.beta.-Hydroxyethyl)theophylline
7-(2-Hydroxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CHEMBL699
ETOFYLLINE [MART.]
ETOFYLLINE [WHO-DD]
MLS000115542
DTXCID603031
ETOFYLLINE [EP IMPURITY]
5-26-14-00038 (Beilstein Handbook Reference)
7-(2-hydroxyethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
etophylline
NCGC00016479-06
CAS-519-37-9
SMR000058179
Etofilina (INN-Spanish)
Etofyllinum (INN-Latin)
THEOPHYLLINE IMPURITY F [EP IMPURITY]
DIPROPHYLLINE IMPURITY C [EP IMPURITY]
ETOFYLLINE (MART.)
ETOFYLLINE (EP IMPURITY)
THEOPHYLLINE MONOHYDRATE IMPURITY F [EP IMPURITY]
etophyllin
THEOPHYLLINE IMPURITY F (EP IMPURITY)
DIPROPHYLLINE IMPURITY C (EP IMPURITY)
THEOPHYLLINE MONOHYDRATE IMPURITY F (EP IMPURITY)
Prestwick_210
Etofylline (Standard)
Spectrum_000319
Opera_ID_628
B-hydroxyethyltheophylline
Prestwick0_000172
Prestwick1_000172
Prestwick2_000172
Prestwick3_000172
Spectrum2_001819
Spectrum3_001711
Spectrum4_000179
Spectrum5_001332
ChemDiv2_005108
Cambridge id 6649214
BSPBio_000063
BSPBio_003322
KBioGR_000697
KBioSS_000799
MLS000069731
BIDD:GT0586
DivK1c_000052
SCHEMBL149271
SPECTRUM2300357
SPBio_001837
SPBio_001984
BPBio1_000071
BCBcMAP01_000126
CHEBI:94764
HMS500C14
HY-B1209R
KBio1_000052
KBio2_000799
KBio2_003367
KBio2_005935
KBio3_002542
C04AD04
NINDS_000052
HMS1383I04
HMS1568D05
HMS2095D05
HMS2235K09
HMS3370P21
HMS3712D05
Etofylline 1.0 mg/ml in Methanol
HY-B1209
Tox21_110447
BDBM50025585
CCG-39731
NSC113373
s5029
STK970528
7-( beta -Hydroxyethyl)-theophylline
AKOS000121416
Tox21_110447_1
CS-4837
FE23197
GS-6113
IDI1_000052
IDI1_003823
SMP1_000162
7-(beta-Hydroxyethyl)theophylline, solid
NCGC00016479-01
NCGC00016479-02
NCGC00016479-03
NCGC00016479-04
NCGC00016479-05
NCGC00016479-07
NCGC00016479-08
NCGC00016479-09
NCGC00016479-11
NCGC00022341-03
NCGC00022341-04
NCGC00178140-01
NCGC00178140-02
DA-49954
SY057870
AB00052458
NS00008663
WLN: T56 BN DN FNVNVJ B2Q F1 H1
EN300-21180
D07933
H10495
SR-01000000166
Q3733837
SR-01000000166-3
BRD-K83064458-001-05-7
BRD-K83064458-001-23-0
Z104493598
Etofylline, European Pharmacopoeia (EP) Reference Standard
1H-Purine-2, 3,7-dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-
7-(2-Hydroxy-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
1H-Purine-2,6-dione, 3,7-dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-(9CI)
3,7-Dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-1H-purine-2,6-dione (9CI)
7-(2-Hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione #
208-269-8
7-(2-Hydroxyethyl)theophylline;3,7-Dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-1H-purine-2,6-dione;7-(2-Hydroxyethyl)-1,3-dimethylxanthi ne