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1-(3-CHLOROPROPYL)THEOBROMINE

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1-(3-CHLOROPROPYL)THEOBROMINE Basic information

Product Name:
1-(3-CHLOROPROPYL)THEOBROMINE
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
  • 1-(3-Chloropropyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione 1-(3-Chloropropyl)-3,7-dimethylxanthine
  • 1-(3-Chloropropyl)-3,7-diMethyl-1H-purine-2,6(3H,7H)-dione
  • 1-(3-Chloro-propyl)-3,7-diMethyl-3,7-dihydro-purine-2,6-dione
  • 1H-Purine-2,6-dione,1-(3-chloropropyl)-3,7-dihydro-3,7-diMethyl-
CAS:
74409-52-2
MF:
C10H13ClN4O2
MW:
256.69
Product Categories:
  • Alkaloids
  • Alkaloids (Others)
  • Biochemistry
Mol File:
74409-52-2.mol
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1-(3-CHLOROPROPYL)THEOBROMINE Chemical Properties

Melting point:
145°C
Boiling point:
478.2±51.0 °C(Predicted)
Density 
1.45
storage temp. 
under inert gas (nitrogen or Argon) at 2-8°C
solubility 
DMSO (Slightly), Methanol (Slightly, Heated)
pka
0.47±0.70(Predicted)
form 
Solid
color 
White
Stability:
Moisture Sensitive
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
SMILES
N1(C)C2=C(N(C)C(=O)N(CCCCl)C2=O)N=C1
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Safety Information

Safety Statements 
22-24/25
HS Code 
2939.80.0000
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1-(3-CHLOROPROPYL)THEOBROMINE Usage And Synthesis

Uses

suzuki reaction

1-(3-CHLOROPROPYL)THEOBROMINESupplier

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