5-(2-Methyloctan-2-yl)benzene-1,3-diol

CAS: 56469-10-4

Ref. 3D-FM142766

Product Information

• Name: 5-(2-Methyloctan-2-yl)benzene-1,3-diol
• Synonyms: 1,3-Benzenediol, 5-(1,1-dimethylheptyl)-, 5-(1,1-Dimethyl-Heptyl)Benzene-1,3-Diol, 5-(1,1-Dimethyl-Heptyl)Resorcinol, 5-(1,1-Dimethylheptyl)-1,3-benzenediol, 5-(1,1-Dimethylheptyl)benzene-1,3-diol, 5-(2-Methyloctan-2-Yl)Benzene-1,3-Diol, 5-(1,1-Dimethylheptyl)resorcinol

Description

5-(2-Methyloctan-2-yl)benzene-1,3-diol is a deuterated impurity of the drug Lisdexamfetamine. It has been shown to have neuroprotective properties in vitro and in vivo. The synthesis of 5-(2-methyloctan-2-yl)benzene-1,3-diol begins with the reaction of resorcinol with trifluoroacetic acid to produce an acetate ester. The acetate ester is reacted with ethylene oxide to form an ether. The ether is then reacted with 2,4,5 octane triol to produce 5-(2 methyloctan -2 yl)benzene 1,3 diol. This process can be simplified by using boron trifluoride etherate as a catalyst.

• Brand: Biosynth

Chemical properties

• Molecular weight: 236.35 g/mol
• Formula: C₁₅H₂₄O₂
• Purity: Min. 95%
• InChI: InChI=1S/C15H24O2/c1-4-5-6-7-8-15(2,3)12-9-13(16)11-14(17)10-12/h9-11,16-17H,4-8H2,1-3H3
• InChI key: InChIKey=GWBGUJWRDDDVBI-UHFFFAOYSA-N
• SMILES: CCCCCCC(C)(C)c1cc(O)cc(O)c1