Theobromine

Theobromine structural formula

CAS Number83-67-0
Molecular FormulaC7H8N4O2
Molecular Weight180.168
InChI KeyYAPQBXQYLJRXSA-UHFFFAOYSA-N
LogP-0.780
Synonyms
  • Theobromine
  • 3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione
  • 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-
  • 83-67-0
  • 5-26-13-00553
  • 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-
  • 3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione
  • 3,7-Dimethylxanthine
  • Diurobromine
  • NSC 5039
  • PURINE(1H)-2,6-DIONE, 3,7-DIHYDRO-3,7-DIMETHYL-
  • Santheose
  • Teobromin
  • teobromina
  • Theobromin
  • THEOBROMINE (3,7-DIMEXANTHINE)
  • Theosalvose
  • Theostene
  • BRN 0016464
  • EINECS 201-494-2
  • FEMA No. 3591
  • Thesodate
  • Xanthine, 3,7-dimethyl-
  • UNII-OBD445WZ5P
  • 2,6-Dihydroxy-3,7-dimethyl-purine
  • 3,7-Dimethyl-xanthine
  • 3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione
  • 3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
  • 3,7-dimethylpurine-2,6-dione

Applications:

HPLC Determination of Caffeine, Theophylline and Theobromine in Tea on Primesep SB Column

December 17, 2020

Condition

Column Primesep SB, 3.2×100 mm, 5 µm, 100A
Mobile Phase EtOH – 10%
Buffer H3PO4 – 0.3%
Flow Rate 0.5 ml/min
Detection UV, 270 nm

Description

Class of Compounds
Xanthine, Hydrophobic, Ionizable
Analyzing Compounds Caffeine, Theophylline, Theobromine

 

Application Column

Primesep SB

The Primesep family of mixed-mode columns offers a wide variety of stationary phases, boasting unprecedented selectivity in the separation of a broad array of chemical compounds across multiple applications. Corresponding Primesep guard columns, available with all stationary phases, do not require holders. SIELC provides a method development service available to all customers. Inquire about our specially-tailored custom LC-phases for specific separations.

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Application Analytes:
Caffeine
Theobromine
Theophylline
SIELC Technologies usually develops more than one method for each compound. Therefore, this particular method may not be the best available method from our portfolio for your specific application. Before you decide to implement this method in your research, please send us an email to research@sielc.com so we can ensure you get optimal results for your compound/s of interest.

Effect of Acid on Separation of Xanthines

July 6, 2003

Primesep B separates xanthines such as theobromine, dimethylxanthine, theophylline by a combination of reversed-phase and ion-exchange mechanisms. The anion-exchange properties of the column allow retention of hydrophilic xanthines, and the reversed-phase properties retain hydrophobic compounds. The HPLC separation uses a mobile phase of water, acetonitrile (MeCN, ACN) and either trifluoroacetic acid (TFA), perchloric acid (HClO4), or sulfuric acid (H2SO4) and UV detection.

Condition

Column Primesep B
Mobile Phase MeCN/H2O
Buffer TFA , HClO4, H2SO4
Flow Rate 1.0 ml/min
Detection

 

Description

Class of Compounds
Drug, Acid, Hydrophilic, Ionizable, Hormone
Analyzing Compounds Theobromine, 1,7 – Dimethylxanthine, Theophyline

 

Application Column

Primesep B

The Primesep family of mixed-mode columns offers a wide variety of stationary phases, boasting unprecedented selectivity in the separation of a broad array of chemical compounds across multiple applications. Corresponding Primesep guard columns, available with all stationary phases, do not require holders. SIELC provides a method development service available to all customers. Inquire about our specially-tailored custom LC-phases for specific separations.

Select options
Application Analytes:
1,7-Dimethylxanthine
Theobromine
Theophylline
Theophylline monohydrate

Application Detection:
UV Detection
SIELC Technologies usually develops more than one method for each compound. Therefore, this particular method may not be the best available method from our portfolio for your specific application. Before you decide to implement this method in your research, please send us an email to research@sielc.com so we can ensure you get optimal results for your compound/s of interest.