ChemicalBook >> CAS DataBase List >>8-Bromotheophylline

8-Bromotheophylline

CAS No.
10381-75-6
Chemical Name:
8-Bromotheophylline
Synonyms
bromotheophylline;Nsc164940;AKOS NCG-0005;8-Bromotheophyline;8-BROMOTHEOPHYLLINE;LABOTEST-BB LT00134545;Theophylline, 8-bromo-;8-BROMOTHEOPHYLLINE 97%;8-Bromotheophylline >8-Bromotheophylline ,97%
CBNumber:
CB0105862
Molecular Formula:
C7H7BrN4O2
Molecular Weight:
259.06
MDL Number:
MFCD00022664
MOL File:
10381-75-6.mol
MSDS File:
SDS
TDS File:
TDS
Last updated:2026-07-16 07:06:08

8-Bromotheophylline Properties

Melting point 295-297°C
Boiling point 469.5±55.0 °C(Predicted)
Density 1.862±0.06 g/cm3(Predicted)
storage temp. Keep in dark place,Inert atmosphere,Room temperature
solubility DMSO (Slightly), Methanol (Slightly, Heated)
pka pKa 5.45±0.1(H2O t=24) (Uncertain)
form Solid
color White to Off-White
BRN 203069
CAS DataBase Reference 10381-75-6
FDA UNII FZG87K1MQ6
EPA Substance Registry System 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-1,3-dimethyl- (10381-75-6)

SAFETY

Risk and Safety Statements

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Risk Statements  20/21/22
Safety Statements  24/25-36/37
RIDADR  2811
TSCA  TSCA listed
HazardClass  6.1(b)
PackingGroup  III
HS Code  29395900

8-Bromotheophylline price More Price(56)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich S168378 8-BROMO-1,3-DIMETHYL-3,7-DIHYDRO-PURINE-2,6-DIONE AldrichCPR 10381-75-6 1 unit $121 2026-04-30 Buy
Sigma-Aldrich 1077708 8-BROMO-1,3-DIMETHYL-3,7-DIHYDRO-PURINE-2,6-DIONE 10381-75-6 400mg $1270 2026-04-30 Buy
Sigma-Aldrich S168378 8-BROMO-1,3-DIMETHYL-3,7-DIHYDRO-PURINE-2,6-DIONE Aldrich 10381-75-6 50mg $110 2024-03-01 Buy
TCI Chemical B3456 8-Bromotheophylline >98.0%(HPLC)(T) 10381-75-6 1g $107 2026-04-30 Buy
TCI Chemical B3456 8-Bromotheophylline >98.0%(HPLC)(T) 10381-75-6 5g $328 2026-04-30 Buy
Product number Packaging Price Buy
S168378 1 unit $121 Buy
1077708 400mg $1270 Buy
S168378 50mg $110 Buy
B3456 1g $107 Buy
B3456 5g $328 Buy

8-Bromotheophylline Chemical Properties,Uses,Production

Description

Bromotheophylline is the active moiety of pamabrom, a mixture of 2-amino-2-methyl-propanol and bromotheophylline. From this mixture, bromotheophylline acts as a weak diuretic that has been used along with some analgesics to relieve the symptoms of premenstrual syndrome. Bromotheophylline is categorized on the FDA as a drug substance with an inactive state since March, 1980. It is also approved by Health Canada to be used alone or in combination with [DB00316] in OTC products.

Chemical Properties

White Crystalline Powder

Uses

The active component in the diuretic Diurex.

Synthesis

Theophylline

58-55-9

8-Bromotheophylline

10381-75-6

The general procedure for the synthesis of 8-bromo-1,3-dimethyl-1H-purine-2,6(3H,9H)-dione using 1,3-dimethyl-1H-purine-2,6(3H,9H)-dione as a starting material was as follows: the theophylline (10 g, 55.5 mmol) was dissolved in a mixed solvent of acetic acid/water (90 mL of acetic acid, 60 mL of water) at 50 °C, followed by the bromine (9.76 g, 61 mmol) was added slowly and dropwise. The reaction mixture was stirred continuously at 50 °C for 4 hours. Upon completion of the reaction, the mixture was cooled to room temperature to induce precipitation of the target product. The precipitate was separated by filtration and the filter cake was washed twice with distilled water and subsequently dried under vacuum to afford 8-bromo-1,3-dimethyl-1H-purine-2,6(3H,9H)-dione (13.6 g, 94.5% yield) as a white solid. The product was detected by LCMS and showed MH+ peak of 259.

Purification Methods

It is purified by dissolving in the minimum volume of dilute NaOH (charcoal), filtering and acidifying to pH ca 3.5-4. The solid that separates is collected, dried in vacuo at 100o and stored in a dark container. It has also been recrystallised from EtOH or AcOH. [Blitz & Beck J Prakt Chem [2] 118 158 1928, Fischer & Ach Chem Ber 28 3142 1895, Beilstein 26 H 476, 26 II 227, 26 III/IV 2447.]

References

[1] Patent: US2014/275528, 2014, A1. Location in patent: Paragraph 0207; 0208
[2] Chemische Berichte, 1895, vol. 28, p. 3139
[3] Chemische Berichte, 1906, vol. 39, p. 430
[4] Justus Liebigs Annalen der Chemie, 1914, vol. 404, p. 164

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View Lastest Price from 8-Bromotheophylline manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
8-Bromotheophylline pictures 2026-08-08 8-Bromotheophylline
10381-75-6
$29.00 98.49% 10g TargetMol Chemicals Inc.
8-Bromotheophylline pictures 2021-07-02 8-Bromotheophylline
10381-75-6
$10.00-15.00 1KG 99%+ HPLC Zhuozhou Wenxi import and Export Co., Ltd
8-BROMOTHEOPHYLLINE pictures 2020-01-22 8-BROMOTHEOPHYLLINE
10381-75-6
$1.00 1KG 98%HPLC 10tons Career Henan Chemical Co

8-Bromotheophylline Spectrum

8-bromo-3,7-dihydro-1,3-dimethyl-1h-purine-6-dione AKOS NCG-0005 8-BROMOTHEOPHYLLINE 8-BROMO-3,7-DIHYDRO-1,3-DIMETHYL-1H-PURINE-2,6-DIONE 8-BROMO-1,3-DIMETHYL-3,7-DIHYDRO-PURINE-2,6-DIONE LABOTEST-BB LT00134545 8-BROMOTHEOPHYLLINE 97% 1,3-Dimethyl-8-bromoxanthine 8-Bromotheophylline ,97% 8-bromo-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione 8-Bromotheophylline, ≥98% 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-1,3-dimethyl- 8-Bromotheophyline Nsc164940 Theophylline, 8-bromo- 8-bromo-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione(SALTDATA: FREE) 8-Bromotheophylline (400 mg) 8-BroMo-1,3-diMethyl-1H-purine-2,6(3H,9H)-dione 8-broMo-1,3-diMethyl-1H-purine-2,6(3H,7H)-dione 8-Bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione 8-Bromotheophylline > 1H-Purine-2,6-dione, 8-bromo-3,9-dihydro-1,3-dimethyl- 8-Bromotheophylline (1077708) 8-Bromotheophylline, 10 mM in DMSO bromotheophylline 10381-75-6 C7H7BrN4O2 Pharmaceutical Raw Materials Nucleotides and Nucleosides Bases & Related Reagents Nucleotides