1-(3-Chloropropyl)theobromine TCI C1103

Chemical Identity

Other names: 1-(3-Chloropropyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione · 1-(3-Chloropropyl)-3,7-dimethylxanthine
CAS No.: 74409-52-2
PubChem: CID 13020469·SID 87566134
Formula: C10H13ClN4O2
Molecular weight: 256.69 g/mol
Purity: >97.0%(HPLC)(T)
Reference databases: ECHA

Full identifiers (IUPAC, SMILES, InChIKey)

IUPAC: 1-(3-chloropropyl)-3,7-dimethylpurine-2,6-dione
SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCl
InChIKey: JMOWKXFNJSTXBW-UHFFFAOYSA-N
MDL: MDL00059926

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CoA (Certificate of Analysis)

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TCI C1103 1-(3-Chloropropyl)theobromine (CAS 74409-52-2) is a xanthine derivative built on the purine alkaloid theobromine scaffold. The primary chloropropyl side chain acts as a convenient leaving group for nucleophilic substitution with amines, thiols and other nucleophiles. This makes the compound an efficient intermediate for assembling more elaborate xanthine derivatives in research settings. AMI Scientific supplies this TCI product in a 25 g pack, with lot specifications documented in the official Certificate of Analysis.