1-​tert-​Butyl-​3,​5-​dimethylbenzene

CAS: 98-19-1

Ref. TR-B699318

Product Information

• Name: 1-​tert-​Butyl-​3,​5-​dimethylbenzene
• Synonyms: Xylometazoline Hydrochloride Imp. D (EP),Xylometazoline Hydrochloride Imp. B (EP), Xylometazoline Imp. B (EP), 1-(1,1-Dimethylethyl)-3,5-dimethylbenzene, Xylometazoline Hydrochloride Impurity D, Xylometazoline Impurity D, (tert-Butyl)-3,5-dimethylbenzene, 1,3-Dimethyl-5-(1,1-dimethylethyl)benzene, 1,3-Dimethyl-5-(2-methyl-2-propanyl)benzene, 1,3-Dimethyl-5-(T-Butyl)Benzene, 1,3-Dimethyl-5-tert-butylbenzene, 1-Tert-Butl-3,5-Dimethylbenzene, 3,5-Dimethyl-tert-butylbenzene, 5-(1,1-Dimethylethyl)-1,3-dimethylbenzene, 5-tert-Butyl-1,3-dimethylbenzene, 5-tert-Butyl-m-xylene, 98-19-1, Benzene, 1-(1,1-dimethylethyl)-3,5-dimethyl-, NSC 11016, m-Xylene, 5-tert-butyl-

Description

Impurity Xylometazoline EP Impurity D
Applications 1-​tert-​Butyl-​3,​5-​dimethylbenzene (Xylometazoline EP Impurity D) is a reagent used in the synthesis of polyarenes as oligonapthalene derivatives as well as in the preparation of arylsulfur trifluorides from diaryl disulfides. Xylometazoline derivative, a vasoconstrictor involved in signal transduction, also used as a nasal decongestant. May be used in treatments involving ischemic injury due to the ability to shift energy metabolism from mitochondrial to glycolysis (2).
References 1. Fliri, A. et al.: J. Med. Chem. 2009 Dec 24;52(24):8038-46.2. Gohil, V. et al.: Nat Biotechnol. 2010 Mar;28(3):249-55.

• Brand: TRC

Chemical properties

• Molecular weight: 162.27
• Formula: C₁₂H₁₈
• Color/Form: Light Yellow
• InChI: InChI=1S/C12H18/c1-9-6-10(2)8-11(7-9)12(3,4)5/h6-8H,1-5H3
• InChI key: InChIKey=VQOXZBDYSJBXMA-NQTDYLQESA-N
• SMILES: C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@]2(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)/C=C/C=C/C=C/C=C/CC/C=C/C=C/[C@H](C)[C@@H](O)[C@H]1C)O2