Description

2-(Chloromethoxy)-1,3-diisopropylbenzene (CAS No. 258516-82-4) is a high-purity organic compound with the molecular formula C₁₃H₁₉ClO. This specialized chemical features a benzene ring substituted with a chloromethoxy group and two isopropyl groups at the 1,3-positions, making it a valuable intermediate for synthetic organic chemistry applications. With an IUPAC name of 2-(chloromethoxy)-1,3-di(propan-2-yl)benzene, it is characterized by its precise structural configuration and reactivity. Ideal for researchers and pharmaceutical chemists, this compound is rigorously tested for purity and consistency, ensuring reliable performance in complex reactions such as electrophilic substitutions or as a precursor in the synthesis of fine chemicals. Available in various quantities, it is supplied with comprehensive analytical documentation including GC/MS, HPLC, and ¹H/¹³C NMR spectra.

Properties

• CAS Number: 258516-82-4
• Complexity: 163
• IUPAC Name: 2-(chloromethoxy)-1,3-diisopropyl-benzene
• InChI: InChI=1S/C13H19ClO/c1-9(2)11-6-5-7-12(10(3)4)13(11)15-8-14/h5-7,9-10H,8H2,1-4H3
• InChI Key: XYMTUFXXCMZHCU-UHFFFAOYSA-N
• Exact Mass: 226.1124429
• Molecular Formula: C13H19ClO
• Molecular Weight: 226.74
• SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)OCCl
• Topological: 9.2
• Monoisotopic Mass: 226.1124429
• Synonyms: 258516-82-4, 2-(chloromethoxy)-1,3-diisopropylbenzene, 2-(Chloromethoxy)-1,3-di(propan-2-yl)benzene, 2-Chloromethoxy-1,3-diisopropyl-benzene, 2-(chloromethoxy)-1,3-bis(1-methylethyl)Benzene, SCHEMBL4077369, DTXSID30460193, XYMTUFXXCMZHCU-UHFFFAOYSA-N, MFCD09833643, O-chloromethyl 2,6-diisopropylphenol, O-chloromethyl-2,6-diisopropylphenol, AKOS015951088, O-chloromethyl 2,6-diisopropyl phenol, chloromethyl(2,6-diisopropylphenyl)ether, SY298452, DB-354913

Application

2-(Chloromethoxy)-1,3-diisopropylbenzene serves as a versatile building block in organic synthesis, particularly in the development of pharmacologically active molecules. Its reactive chloromethoxy group enables facile functionalization, making it useful for constructing complex aromatic frameworks. Researchers employ this compound in cross-coupling reactions and as a precursor for ligands in catalysis. It may also find application in material science for modifying polymer backbones or as an intermediate in agrochemical synthesis.

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