8-Bromo-3-methyl-xanthine

Product Name: 8-Bromo-3-methyl-xanthine
CAS No.: 93703-24-3
Chemical Name: 8-Bromo-3-methyl-xanthine
Synonyms: Linaint-F;8-Bromo-3-methyL;Linagliptin Impurity 97;3-Methyl-8-broMoxanthine;3-Bromo-3-methylxanthine;8-Bromo 2-methyl xanthine;8-Bromo-3-methyl-xanthine;-1H-purine-2,6(3H,7H)-dione;Linagliptin 8-Bromo Impurity;8-Bromo-3-methyl-7H-purine-2,6-dione
CBNumber: CB41073838
Molecular Formula: C6H5BrN4O2
Formula Weight: 245.03
MOL File: 93703-24-3.mol

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8-Bromo-3-methyl-xanthine Property

Melting point:: 300°C(lit.)
Density: 1.974
storage temp.: under inert gas (nitrogen or Argon) at 2–8 °C
solubility: DMF (Slightly), DMSO (Slightly)
form: powder to crystal
pka: 7.65±0.20(Predicted)
color: White to Almost white
InChI: InChI=1S/C6H5BrN4O2/c1-11-3-2(8-5(7)9-3)4(12)10-6(11)13/h1H3,(H,8,9)(H,10,12,13)
InChIKey: QTEQVEJOXGBDGI-UHFFFAOYSA-N
SMILES: N1C2=C(N(C)C(=O)NC2=O)NC=1Br

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Safety

Risk Statements: 22
Safety Statements: 26-36/37/39
HS Code: 29339900

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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

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

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

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

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

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.

P321Specific treatment (see … on this label).

P330Rinse mouth.

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

P362Take off contaminated clothing and wash before reuse.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

TCI Chemical

Product number: B4134
Product name: 8-Bromo-3-methylxanthine
Purity: >98.0%(HPLC)(T)
Packaging: 1g
Price: $275
Updated: 2025/07/31

Usbiological

Product number: 162364
Product name: 8-Bromo-3,9-dihydro-3-methyl-1H-purine-2,6-dione
Packaging: 250mg
Price: $460
Updated: 2021/12/16

TRC

Product number: B683485
Product name: 8-Bromo-3,9-dihydro-3-methyl-1H-purine-2,6-dione
Packaging: 250mg
Price: $160
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FB31604
Product name: 8-Bromo-3-methyl-1H-purine-2,6(3H,7H)-dione
Packaging: 25g
Price: $125
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FB31604
Product name: 8-Bromo-3-methyl-1H-purine-2,6(3H,7H)-dione
Packaging: 50g
Price: $200
Updated: 2021/12/16

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8-Bromo-3-methyl-xanthine Chemical Properties,Usage,Production

Chemical Properties

Light yellow solid

Uses

8-Bromo-3,9-dihydro-3-methyl-1H-purine-2,6-dione, is a substituted derivative of Xanthine (X499950), found in animal organs, yeast, potatoes, coffee beans, tea. It can also be used for the synthesis of Linagliptin (L465900), which is a novel potent and selective dipeptidyl peptidase-4 (DPP-4) inhibitor with potential use in the treatment of type 2 diabetes.

Synthesis

1076-22-8

93703-24-3

Step 1: Synthesis of 8-bromo-3-methyl-3,7-dihydro-1H-purine-2,6-dione 3-Methyl-3,7-dihydro-1H-purine-2,6-dione (11.3 g, 6.8 mmol) was dissolved in acetic acid (300 mL) and sodium acetate (8.37 g, 13.6 mmol) was added. Subsequently, bromine (13.04 g, 8.2 mmol) was added slowly dropwise at 50 °C. After the dropwise addition was completed, the reaction mixture was warmed up to 65 °C with continuous stirring for 3 hours. After completion of the reaction, the mixture was cooled to room temperature and slowly poured into ice water (500 g) to precipitate the product. The precipitate was collected by filtration and the filter cake was washed twice with cold water and finally dried under vacuum to give 8-bromo-3-methyl-3,7-dihydro-1H-purine-2,6-dione (16.1 g, 96.6% yield) as a light yellow solid.LCMS analysis showed a retention time of 0.541 min; LCMS (MH+) m/z: 245.

References

[1] Patent: WO2014/143799, 2014, A2. Location in patent: Page/Page column 371
[2] Patent: WO2014/97314, 2014, A1. Location in patent: Page/Page column 3; 8-9; 15
[3] Patent: US2002/28823, 2002, A1
[4] Patent: US2002/103211, 2002, A1
[5] Patent: US6774130, 2004, B2

8-Bromo-3-methyl-xanthine Preparation Products And Raw materials

Raw materials

Preparation Products

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8-Bromo-3-methyl-xanthine Suppliers

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View Lastest Price from 8-Bromo-3-methyl-xanthine manufacturers

Handan City Zechi trading Co., LTD

Product: 8-Bromo-3-methyl-xanthine 93703-24-3
Price: US $1.00/g
Min. Order: 100g
Purity: 99
Supply Ability: 1000
Release date: 2025-08-11

WUHAN FORTUNA CHEMICAL CO., LTD

Product: 8-Bromo-3-methyl-xanthine 93703-24-3
Price: US $0.00-0.00/Kg/Drum
Min. Order: 1KG
Purity: 98%min HPLC
Supply Ability: 1000kg
Release date: 2021-11-19

Henan Aochuang Chemical Co.,Ltd.

Product: 8-Bromo-3-methyl-xanthine 93703-24-3
Price: US $0.00-0.00/kg
Min. Order: 1kg
Purity: 98%
Supply Ability: 1Ton
Release date: 2022-09-29

93703-24-3, 8-Bromo-3-methyl-xanthineRelated Search:

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8-Bromo-3-methyl-xanthine

8-Bromo-3-methyl-3,7-dihydro-1H-purine-2,6-dione

8-bromo-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

8-Bromo-3-methyl-7H-purine-2,6-dione

8-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione

8-broMo-3-Methyl-1H-purine-2,6(3H,7H)

1H-purine-2,6-dione, 8-broMo-3,7-dihydro-3-Methyl-

3-Methyl-8-broMoxanthine

1H-Purine-2,6-dione,8-broMo-3,9-dihydro-3-Methyl-

8-Bromo-3-methylxanthine 8-Bromo-3-methyl-3,7-dihydropurine-2,6-dione

8-Bromo 2-methyl xanthine

8-Bromo-3,9-dihydro-3-methyl-1H-purine-2,6-dione

8-Bromo-3-methyl-3,9-dihydro-purine-2,6-dione

Linaint-F

8-Bromo-3-methyL

Linagliptin 8-Bromo Impurity

Linagliptin Impurity 97

-1H-purine-2,6(3H,7H)-dione

8-Bromo-3-methyl-xanthine ISO 9001：2015 REACH

Linagliptin intermediates，8-Bromo-3-methyl-3,7-dihydropurine- 2,6-dione

3-Bromo-3-methylxanthine

Linagliptin Impurity 1/ Linagliptin 8-bromo impurity (LNG STG-I)

8-Bromo-3-Methyl-Xanthine / Linagliptin Intermediate

Linagliptin intermediate 3-Methyl-8-bromoxanthine(india site )

8-Bromo-3-methyl-3,7-dihydropurine－2,6-dtone

8-Bromo-3-methyl-3,9-dihydra-1H-purine-2,6-dione

93703-24-3

C6H5BrN4O2

bc0001

93703-24-3