ChemicalBook > CAS DataBase List > 8-Bromotheophylline

8-Bromotheophylline

Product Name: 8-Bromotheophylline
CAS No.: 10381-75-6
Chemical Name: 8-Bromotheophylline
Synonyms: Nsc164940;AKOS NCG-0005;bromotheophylline;8-Bromotheophyline;8-BROMOTHEOPHYLLINE;LABOTEST-BB LT00134545;Theophylline, 8-bromo-;8-BROMOTHEOPHYLLINE 97%;8-Bromotheophylline >8-Bromotheophylline ,97%
CBNumber: CB0105862
Molecular Formula: C7H7BrN4O2
Formula Weight: 259.06
MOL File: 10381-75-6.mol

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8-Bromotheophylline Property

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
EPA Substance Registry System: 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-1,3-dimethyl- (10381-75-6)

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Safety

Risk Statements: 20/21/22
Safety Statements: 24/25-36/37
RIDADR: 2811
HazardClass: 6.1(b)
PackingGroup: III
HS Code: 29395900

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P337+P313IF eye irritation persists: Get medical advice/attention.

P362Take off contaminated clothing and wash before reuse.

P403+P233Store in a well-ventilated place. Keep container tightly closed.

P405Store locked up.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: S168378
Product name: 8-BROMO-1,3-DIMETHYL-3,7-DIHYDRO-PURINE-2,6-DIONE
Purity: Aldrich<sup>CPR</sup>
Packaging: 1 unit
Price: $113
Updated: 2025/07/31

Sigma-Aldrich

Product number: 1077708
Product name: 8-BROMO-1,3-DIMETHYL-3,7-DIHYDRO-PURINE-2,6-DIONE
Packaging: 400mg
Price: $1180
Updated: 2025/07/31

Sigma-Aldrich

Product number: S168378
Product name: 8-BROMO-1,3-DIMETHYL-3,7-DIHYDRO-PURINE-2,6-DIONE
Purity: Aldrich
Packaging: 50mg
Price: $110
Updated: 2024/03/01

TCI Chemical

Product number: B3456
Product name: 8-Bromotheophylline
Purity: >98.0%(HPLC)(T)
Packaging: 1g
Price: $133
Updated: 2025/07/31

TCI Chemical

Product number: B3456
Product name: 8-Bromotheophylline
Purity: >98.0%(HPLC)(T)
Packaging: 5g
Price: $458
Updated: 2025/07/31

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8-Bromotheophylline Chemical Properties,Usage,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

58-55-9

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
[5] Justus Liebigs Annalen der Chemie, 1914, vol. 404, p. 164

8-Bromotheophylline Preparation Products And Raw materials

Raw materials

Acetic anhydride Theophylline Hydrogen bromide Nitric acid

Preparation Products

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View Lastest Price from 8-Bromotheophylline manufacturers

Zhuozhou Wenxi import and Export Co., Ltd

Product: 8-Bromotheophylline 10381-75-6
Price: US $15.00-10.00/KG
Min. Order: 1KG
Purity: 99%+ HPLC
Supply Ability: Monthly supply of 1 ton
Release date: 2021-06-27

Career Henan Chemical Co

Product: 8-BROMOTHEOPHYLLINE 10381-75-6
Price: US $1.00/KG
Min. Order: 1KG
Purity: 98%HPLC
Supply Ability: 10tons
Release date: 2020-01-20

10381-75-6, 8-BromotheophyllineRelated Search:

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

bromotheophylline

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 &gt

1H-Purine-2,6-dione, 8-bromo-3,9-dihydro-1,3-dimethyl-

8-Bromotheophylline (1077708)

8-Bromotheophylline, 10 mM in DMSO

10381-75-6

C7H7BrN4O2

Pharmaceutical Raw Materials

Nucleotides and Nucleosides

Bases & Related Reagents

Nucleotides