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

Application

Product Name: 8-bromo-7-(but-2-ynyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS No.: 666816-98-4
Chemical Name: 8-bromo-7-(but-2-ynyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
Synonyms: 8-Bromo-7-(2-butyn-1-yl)-3-methylxanthine;8-broMo-7-(but-2-yn-1-yl)-3-Methyl-1H-purine-2,6(3H,7H)-dione;8-Bromo-7-(2-butynyl)-3,7-dihydro-3-methyl-1H-purine-2,6-dione;3-Methyl-7-(2-butyn-1-yl)-8-bromoxanthine 8-Bromo-7-(2-butynyl)-3,7-dihydro-3-methyl-1H-purine-2,6-dione;Linagliptin INT1;Linagliptin Inter;8-BROMO-7-(BUT-2-YNYL);Linagliptin Impurity 36;Linagliptin Impurity 73;Iinagliptin Intermediate2
CBNumber: CB22538943
Molecular Formula: C10H9BrN4O2
Formula Weight: 297.11
MOL File: 666816-98-4.mol

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

Melting point:: 285 °C
Density: 1.71
storage temp.: 2-8°C
solubility: DMSO (Slightly), Methanol (Slightly)
form: powder to crystal
pka: 8.91±0.70(Predicted)
color: White to Almost white
InChI: InChI=1S/C10H9BrN4O2/c1-3-4-5-15-6-7(12-9(15)11)14(2)10(17)13-8(6)16/h5H2,1-2H3,(H,13,16,17)
InChIKey: HFZOBQSHTNNKFY-UHFFFAOYSA-N
SMILES: N1(CC#CC)C2=C(N(C)C(=O)NC2=O)N=C1Br
LogP: 1.25 at 20℃
CAS DataBase Reference: 666816-98-4

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Safety

HS Code: 2933.99.8290

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H412Harmful to aquatic life with long lasting effects

Precautionary statements

P273Avoid release to the environment.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

TCI Chemical

Product number: B4454
Product name: 8-Bromo-7-(2-butyn-1-yl)-3-methylxanthine
Purity: >98.0%(HPLC)(T)
Packaging: 200mg
Price: $93
Updated: 2025/07/31

TCI Chemical

Product number: B4454
Product name: 8-Bromo-7-(2-butyn-1-yl)-3-methylxanthine
Purity: >98.0%(HPLC)(T)
Packaging: 1g
Price: $334
Updated: 2023/01/07

TRC

Product number: B687605
Product name: 8-Bromo-3-methyl-7-(2-butynyl)-xanthine
Packaging: 100mg
Price: $65
Updated: 2021/12/16

Matrix Scientific

Product number: 096910
Product name: 8-Bromo-7-(but-2-yn-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
Purity: 95+%
Packaging: 1g
Price: $19
Updated: 2021/12/16

AK Scientific

Product number: J97553
Product name: 8-Bromo-3-methyl-7-(2-butynyl)-xanthine
Packaging: 1g
Price: $20
Updated: 2021/12/16

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8-bromo-7-(but-2-ynyl)-3-methyl-1H-purine-2,6(3H,7H)-dione Chemical Properties,Usage,Production

Application

8-Bromo-7-(2-Butynedi)-3-methylxanthine is an intermediate in the synthesis of liraristine and can be used in pharmaceutical research. It is an intermediate in organic synthesis.

Chemical Properties

White powder

Synthesis

8-bromo-3-methyl-3,7-dihydro-1H-purine-2,6-dione (2.450 g, 10 mmol),1-bromo-2-butyne (1.596 g, 12 mmol), Sodium carbonate (1.590 g, 15 mmol), and 20mL of acetone was added to a 100mL flask. The reaction system was heated to 40 ° C, and the reaction was stirred for 4h. After the reaction was cooled to room temperature, suction filtration was performed, and the filter cake was washed with methanol to obtain a crude product as a pale yellow solid. The crude product was reconstituted with dichloromethane and cyclohexane. Yield 2.912 g of 8-bromo-7-(but-2-ynyl)-3-methyl-1H-purine-2,6(3H,7H)-dione. The yield was 98%, and the purity was 99.9%.

References

[1] Patent: US2015/274728, 2015, A1. Location in patent: Paragraph 0056-0060
[2] Patent: , 2016, . Location in patent: Paragraph 0097;0098
[3] Patent: WO2014/97314, 2014, A1. Location in patent: Page/Page column 9
[4] Patent: CN104292228, 2016, B. Location in patent: Paragraph 0057-0058; 0089-0092
[5] Journal of Medicinal Chemistry, 2007, vol. 50, # 26, p. 6450 - 6453

8-bromo-7-(but-2-ynyl)-3-methyl-1H-purine-2,6(3H,7H)-dione Preparation Products And Raw materials

Raw materials

Preparation Products

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

Americas 1 China 346 Europe 1 India 67 Japan 1 Switzerland 1 United Kingdom 2 United States 12 Global 431

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View Lastest Price from 8-bromo-7-(but-2-ynyl)-3-methyl-1H-purine-2,6(3H,7H)-dione manufacturers

Handan City Zechi trading Co., LTD

Product: 8-bromo-7-(but-2-ynyl)-3-methyl-1H-purine-2,6(3H,7H)-dione 666816-98-4
Price: US $1.00/g
Min. Order: 100g
Purity: 99
Supply Ability: 1000
Release date: 2025-08-11

Sinoway Industrial co., ltd.

Product: 8-Bromo-7-But-2-Ynyl-3-Methyl-Purine-2,6-Dione / Linagliptin Intermediate 666816-98-4
Price: US $0.00-0.00/kg
Min. Order: 1kg
Purity: 99%
Supply Ability: 20tons
Release date: 2024-07-29

Henan Aochuang Chemical Co.,Ltd.

Product: 8-bromo-7-(but-2-ynyl)-3-methyl-1H-purine-2,6(3H,7H)-dione 666816-98-4
Price: US $0.00-0.00/kg
Min. Order: 1kg
Purity: 98%
Supply Ability: 1Ton
Release date: 2022-09-22

666816-98-4, 8-bromo-7-(but-2-ynyl)-3-methyl-1H-purine-2,6(3H,7H)-dioneRelated Search:

Linagliptin impurity 15 (1R trans)-2-(3,4-difluorophenyl)cyclopropane amine Tetrahydro-2,2-dimethyl-4,7-methano-6H-1,3-dioxolo[4,5-d][1,2]oxazine-6-carboxylic acid phenylmethyl ester Canagliflozin Cyclopropanamine,2-(3,4-difluorophenyl)-(1R,2S) -(2R,3R)-2,3-dihydroxybutanedioate (1:1) Rivaroxaban 3-(R)-Piperidinyl PhthaliMide D-(-)-tartaric acid Linagliptin 5-Acetyl Rhein 1,1'-[(5E)-5-Methyl-7-oxo-5-undecene-1,11-diyl] Bis trans 1-Benzyl-4-(4-fluorophenyl)-3-piperidinemethanol Palonosetron Impurity 11 Clavulanate Potassium Impurity 12 DiHCl(Clavulanate Potassium EP Impurity M DiHCl) ZMZPVNYRPCNJGC-UHFFFAOYSA-N Pitavastatin Defuoro IMpurity CalciuM Salt 9-Piperazino Ofloxacin Chlorhexidine Diacetate Donepezil

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

8-broMo-7-(but-2-ynyl)-3-Methyl-3,7-dihydropurine-2,6-dione

3-Methyl-7-(2-butyn-1-yl)-8-bromoxanthine

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

8-broMo-7-(but-2-yn-1-yl)-3-Methyl-1H-purine-2,6(3H,7H)-dione

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

8-BroMo-7-(2-butyn-a-yl)-3,7-dihydro-3-Methyl-1-1H-purine-2,6-dione

Linagliptin interMediateC

(R)-tert-butyl 1-(7-(but-2-ynyl)-3-Methyl-1-((4-Methylquinazolin-2-yl)Methyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidin-3-ylcarbaMate

3-Methyl-7-(2-butin-1-yl)-8-broMoxanthine

8-Bromo-7-(2-butyn-1-yl)-3-methylxanthine

1H-Purine-2,6-dione, 8-broMo-7-(2-butynyl)-3,7-dihydro-3-Methyl-

8-Bromo-7-(but-2-yn-1-yl)-3-methyl-1H-purine-2,6(3H

8- bromo -7-(2- butyne)-3- methyl xanthine

8-bromo-7-(but-2-ynyl)-3-methyl-1H-purine-2

8-bromo-7-(2-butynyl)-3,7-dihydro-3-methyl-1H-indole-2,6-dione

Iinagliptin Intermediate2

Linagliptin INT1

8-bromo-7-(but-2-ynyl)-3-methyl-1H-purine-2,6(3H,7H)-dione/3-Methyl-7-(2-butyn-1-yl)-8-bromoxanthine

8-Bromo-7-(2- butynyl)-3,7-dihydro- 3-methyl-1H-pur ine-2,6-dion

8-BROMO-7-(BUT-2-YNYL)

8-bromo-7-(but-2-ynyl)-3-methyl-3,4,5,7-tetrahydro-1H-purine-2,6-dione

3-Methyl-7-(2-butyn-1-yl)-8-bromoxanthine 8-Bromo-7-(2-butynyl)-3,7-dihydro-3-methyl-1H-purine-2,6-dione

Linagliptin Impurity 36

8-bromo-7-(but-2-ynyl)-3-methyl-1H-purine-2,6(3H,7H)-dion

8-Bromo-7-(2-butyn-1-yl)-3-methylxanthine &gt

1H-Purine-2,6-dione, 8-bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-

8-Bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1H-purine-2,6-dione

LINAGLIPTIN CAS 668270-12-0 INTERMEDIATES

8-bromo-7-(but-2-ynyl)-3-methyl-1H-purine-2,6(3H,7H)-dione USP/EP/BP

Linagliptin intermediates，8-bromo-7-(but-2-ynyl)-3-methyl-1H- purine-2,6(3H,7H)-dione

(2-(chloromethyl)-4-methylquinazoline)，8-bromo-7-(but-2-ynyl)-3-methyl-1H- purine-2,6(3H,7H)-dione

Linagliptin Impurity 73

8-Bromo-7-(but-2-yn-1-yl)-3-methyl-1Hpurin-2,6(3H,7H)-dione

8-bromo-7-but-2-yn-1-yl-3-methyl-3,7-dihydro-1H-purine-2,6-d...

8-Bromo-7-(2-butyn-1-yl)-3-methylxanthine]Q: What is 8-Bromo-7-(2-butyn-1-yl)-3-methylxanthine] Q: What is the CAS Number of 8-Bromo-7-(2-butyn-1-yl)-3-methylxanthine] Q: What is the storage condition of 8-Bromo-7-(2-butyn-1-yl)-3-methylxanthine]

8-BROMO-3-METHYL-7-BUT-2-YNYL XANTHINE

8-Bromo-7-But-2-Ynyl-3-Methyl-Purine-2,6-Dione / Linagliptin Intermediate

Hydrazinecarbothioamide,N-(10-methoxyphenyl)-

8-bromo-7 -(2-butynyl) -3-methylxanthine

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

8-Bromo-7-(but-2-yn-1-yl)-3-methyl-1H-purine-2,6(3

Linagliptin intermediate 8-bromo-7-but-2-yn-1-yl-3-methyl-3,7-dihydro-1H-purine-2,6-dione

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

8-BROMO-7-(BUT-2-YN-1-YL)-3-METHYL-1H-PURINE-2,6-DIONE

8-Bromo-7-but-2-ynyl-3-methyl-4,5-dihydropurine-2,6-dione

8-Bromo-7-(but-2-yn-1-yj-3-methyl-3,7-dihydra-1H-purine-2,6-dione

Linagliptin Inter

666816-98-4