8-Bromo-3-methyl-7-(2-butynyl)-xanthine

Name: 8-Bromo-3-methyl-7-(2-butynyl)-xanthine
Brand: Vaqora Chemicals
SKU: VQ-013174

About 8-Bromo-3-methyl-7-(2-butynyl)-xanthine

8-Bromo-3-methyl-7-(2-butynyl)-xanthine (CAS 666816-98-4) is a process intermediate or related compound of Linagliptin offered by Vaqora Chemicals. With the molecular formula C10H9BrN4O2, it has a molar mass of 297.11 g/mol. The IUPAC name is 8-bromo-7-but-2-ynyl-3-methylpurine-2,6-dione. Alternative names: 3-Methyl-7-(2-butyn-1-yl)-8-bromoxanthine and 8-Bromo-7-(2-butyn-1-yl)-3-methylxanthine.

It is supplied as a solid. Reference materials should be stored sealed and away from light and moisture, as specified on the accompanying COA. Handle it with standard laboratory precautions and appropriate personal protective equipment.

Process chemists and analysts use it when developing synthetic routes to Linagliptin, tracking process-related impurities and validating analytical methods. Typical end-use sectors are pharmaceutical manufacturing and academic and industrial research.

Available in 10 mg, 25 mg, 50 mg and 100 mg packs, 8-Bromo-3-methyl-7-(2-butynyl)-xanthine is dispatched with a Certificate of Analysis (COA) to destinations worldwide. Stock is available for quick dispatch.

Typical applications

API route development
Impurity fate & purge studies
Analytical method development

Industries

Related to Linagliptin

View every impurity, metabolite and intermediate we list for Linagliptin.

Linagliptin impurities

Specifications & identifiers

Chemical identifiers
Product name	8-Bromo-3-methyl-7-(2-butynyl)-xanthine
Catalogue No.	VQ-013174
CAS Number	666816-98-4
IUPAC name	8-bromo-7-but-2-ynyl-3-methylpurine-2,6-dione
Molecular formula	C₁₀H₉BrN₄O₂
Molecular weight	297.11 g/mol
Exact mass	295.9909
Grade	Reference Standard
HSN code	2933
InChIKey	HFZOBQSHTNNKFY-UHFFFAOYSA-N
SMILES	CC#CCN1C2=C(N=C1Br)N(C(=O)NC2=O)C
PubChem CID	21088927

Physical properties
Physical form	Solid
LogP (XLogP3)	1.1
H-bond donors / acceptors	1 / 3
TPSA	67.2 Å²
Synonyms	8-Bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1H-purine-2,6-dione, 3-Methyl-7-(2-butyn-1-yl)-8-bromoxanthine, 8-Bromo-7-(but-2-yn-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-broMo-7-(but-2-ynyl)-3-Methyl-1H-purine-2,6(3H,7H)-dione, 1H-Purine-2,6-dione, 8-bromo-7-(2-butynyl)-3,7-dihydro-3-methyl-, 8-Bromo-7-(2-butyn-1-yl)-3-methylxanthine, 8-bromo-7-(but-2-yn-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 3-methyl-7-(2-butyn-l-yl)-8-bromo-xanthine, 8-Bromo-7-(2-butynyl)-3,7-dihydro-3-methyl-1H-purine-2,6-dione, CS-M2665, 8-bromo-7-but-2-yn-1-yl-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 3-methyl-7-(2-butin-1-yl)-8-bromoxanthine

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Other grades of CAS 666816-98-4

8-Bromo-7-(but-2-yn-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 98%

CAS: 666816-98-4
Formula: C₁₀H₉BrN₄O₂
MW: 297.11 g/mol

VQ-012175

Frequently asked questions

What is the CAS number of 8-Bromo-3-methyl-7-(2-butynyl)-xanthine?

The CAS Registry Number of 8-Bromo-3-methyl-7-(2-butynyl)-xanthine is 666816-98-4. It is also known as 8-Bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1H-purine-2,6-dione, 3-Methyl-7-(2-butyn-1-yl)-8-bromoxanthine, 8-Bromo-7-(but-2-yn-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione.

What is the molecular formula and molecular weight of 8-Bromo-3-methyl-7-(2-butynyl)-xanthine?

8-Bromo-3-methyl-7-(2-butynyl)-xanthine has the molecular formula C10H9BrN4O2 and a molecular weight of 297.11 g/mol. Its IUPAC name is 8-bromo-7-but-2-ynyl-3-methylpurine-2,6-dione.

What is 8-Bromo-3-methyl-7-(2-butynyl)-xanthine used for?

8-Bromo-3-methyl-7-(2-butynyl)-xanthine is supplied as a characterised reference material related to Linagliptin. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.

Which grade and pack sizes of 8-Bromo-3-methyl-7-(2-butynyl)-xanthine can I order?

We supply 8-Bromo-3-methyl-7-(2-butynyl)-xanthine in Reference Standard grade, in 10 mg, 25 mg, 50 mg, 100 mg, 250 mg, 500 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with 8-Bromo-3-methyl-7-(2-butynyl)-xanthine?

Yes. Every lot of 8-Bromo-3-methyl-7-(2-butynyl)-xanthine is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can 8-Bromo-3-methyl-7-(2-butynyl)-xanthine be shipped internationally?

Yes. We export 8-Bromo-3-methyl-7-(2-butynyl)-xanthine worldwide by air and sea freight or express courier, on EXW, FOB, CIF, CFR or DAP Incoterms, with full export documentation.