1242280-18-7

Basic information

• Product Name: 2,6-di-tert-butyl-4-methylbenzoic acid
• Synonyms: 2,6-di-tert-butyl-4-methylbenzoic acid
• CAS NO: 1242280-18-7
• Molecular Weight: 248.365
• Mol File: 1242280-18-7.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 2,6-di-tert-butyl-4-methylbenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2,6-di-tert-butyl-4-methylbenzoic acid(1242280-18-7)
• EPA Substance Registry System: 2,6-di-tert-butyl-4-methylbenzoic acid(1242280-18-7)

Safety Data

• Hazardous Substances Data: 1242280-18-7(Hazardous Substances Data)

Upstream product

• 124-38-9 carbon dioxide 
• 1518-53-2 1,3-di-tert-butyl-2-methoxy-5-methylbenzene 

Relevant articles and documents

Easier preparation of 2,6-Di-tert-butylphenyl derivatives 1

Despite steric shielding by the 2,6-di-tert-butylphenyl group (super-2,6-xylyl=xyl*), inexpensive sodium phenolate (xyl*-ONa) reacts with dimethyl sulfate to produce only xyl*-OCH3 (94%) with complete suppression of the alternative 4-methylation. Reductive cleavage of xyl*-OCH3 by elemental lithium with the help of an electron carrier generates xyl*-Li, which in turn yields xyl*-CO2H (63%). The corresponding 4-methyl-derivatives of these compounds were obtained analogously. The acid chloride xyl*-COCl (77% yield) acylates HalMgCH 2R to give only xyl*-COCH3 (86%) or xyl*-COEt (97%). These two ketones react with n-butyllithium (no carbonyl addition) and Cl-PO(OEt)2 to furnish only the enol phosphates xyl*-C(=CH 2)OPO(OEt)2 (84%) or xyl*-C(=CHCH 3)OPO(OEt)2 (up to 70%), respectively. Only 1,2-elimination occurs when the latter two products are treated with tert-butyllithium, affording xyl*-CCH (68%) or xyl*-CCMe (88%), respectively. Georg Thieme Verlag Stuttgart - New York.