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

CAS Number: 666816-98-4

Molecular Formula: C10H9BrN4O2

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

8-Bromo-7-(but-2-yn-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione supplierbuy 666816-98-4 building blockpharmaceutical grade Linagliptin intermediate, 8-Bromo-7-(but-2-yn-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione pricehigh purity xanthine derivatives for synthesiswholesale 666816-98-4 chemical manufacturing

About 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-1H-purine-2,6(3H,7H)-dione (CAS 666816-98-4) is a critical xanthine-based scaffold in the API intermediates market, primarily utilized for the synthesis of DPP-4 inhibitors like Linagliptin, where high purity fine chemicals (Pharma/API purity 99% | General Industry purity 98%) are ess...

Synonyms

666816-98-4
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
3-METHYL-7-(2-BUTYN-1-YL)-8-BROMOXANTHINE
1H-Purine-2,6-dione, 8-bromo-7-(2-butynyl)-3,7-dihydro-3-methyl-

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

CAS Number

666816-98-4

Molecular Formula

C10H9BrN4O2

Molecular Weight

297.11 g/mol

IUPAC Name

8-bromo-7-but-2-ynyl-3-methylpurine-2,6-dione

Canonical SMILES

CC#CCN1C2=C(N=C1Br)N(C(=O)NC2=O)C

InChI Key

HFZOBQSHTNNKFY-UHFFFAOYSA-N

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)

PubChem CID

21088927

EINECS Number

613-975-8

MDL Number

MFCD22126091

HSN No

2933990090

CAS Number

666816-98-4

Molecular Formula

C10H9BrN4O2

Molecular Weight

297.11 g/mol

IUPAC Name

8-bromo-7-but-2-ynyl-3-methylpurine-2,6-dione

Canonical SMILES

CC#CCN1C2=C(N=C1Br)N(C(=O)NC2=O)C

InChI Key

HFZOBQSHTNNKFY-UHFFFAOYSA-N

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)

PubChem CID

21088927

EINECS Number

613-975-8

MDL Number

MFCD22126091

HSN No

2933990090

Molecular Weight

297.11 g/mol

Purity

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

Melting Point

285 °C

Boiling Point

497.8±45.0 °C (Predicted)

Freezing point

285°C

Density

1.71 g/cm3

pKa

8.91±0.70

logP

1.14

Precautionary Statement Codes

P261, P305, P338, and P351

Hazard Classes and Categories

Skin Sens. 1 (96.4%) Eye Irrit. 2A (100%)

Pharmaceutical Intermediate

A critical organic building block and precursor primarily used in the multi-step synthesis of the dipeptidyl peptidase-4 (DPP-4) inhibitor linagliptin for the management of type 2 diabetes

Organic Synthesis Building Block

A functionalized xanthine derivative employed in medicinal chemistry research and industrial manufacturing to develop complex heterocyclic molecules with diverse biological activities

Chemical Reference Material

A high-purity standard used in analytical laboratories for quality control, impurity profiling, and structural elucidation during the production of bulk drug substances.