1-(3-CHLOROPROPYL)THEOBROMINE

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For Research Use Only.

Category

Alkaloids

Cat.No.

NP0044

CAS

74409-52-2

Product Name

1-(3-CHLOROPROPYL)THEOBROMINE

Structure

Product Details

Synonyms

1-(3-CHLOROPROPYL)-3,7-DIHYDRO-3,7-DIMETHYL-1H-PURINE-2,6-DIONE; 1-(3-CHLOROPROPYL)-3,7-DIMETHYLXANTHINE; 1-(3-CHLOROPROPYL)THEOBROMINE; Chloropropyltheobromine

IUPAC Name

1-(3-chloropropyl)-3,7-dimethylpurine-2,6-dione

Molecular Weight

256.69

Molecular Formula

C10H13ClN4O2

Canonical SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCl

InChI

InChI=1S/C10H13ClN4O2/c1-13-6-12-8-7(13)9(16)15(5-3-4-11)10(17)14(8)2/h6H,3-5H2,1-2H3

InChIKey

JMOWKXFNJSTXBW-UHFFFAOYSA-N

Boiling Point

478.2±51.0°C (Predicted)

Melting Point

145°C

Purity

>95.0%(T)

Density

1.45 g/cm3

Solubility

DMSO (Slightly), Methanol (Slightly, Heated)

Storage

Under inert gas (nitrogen or Argon) at 2-8°C

Color

Pale Orange to Light Brown Low Melting

Form

Solid

pKa

0.47±0.70(Predicted)

Safety Statements

22-24/25

Stability

Moisture Sensitive

Uses

Suzuki reaction.

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