129589-74-8

Basic information

• Product Name: Methyl 2-(tert-butoxycarbonylamino)-3,6-difluorobenzoate
• CAS NO: 129589-74-8
• Molecular Weight: 287.263
• Mol File: 129589-74-8.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Methyl 2-(tert-butoxycarbonylamino)-3,6-difluorobenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: Methyl 2-(tert-butoxycarbonylamino)-3,6-difluorobenzoate(129589-74-8)
• EPA Substance Registry System: Methyl 2-(tert-butoxycarbonylamino)-3,6-difluorobenzoate(129589-74-8)

Safety Data

• Hazardous Substances Data: 129589-74-8(Hazardous Substances Data)

Upstream product

• 2991-28-8 2,5-difluorobenzoic acid 
• 129589-71-5 N-(tert-Butoxycarbonyl)-2,5-difluoroaniline 
• 79-22-1 methyl chloroformate 

Relevant articles and documents

Metallation of N-(Pivaloyl)- and N-(tert-Butoxycarbonyl)difluoroanilines: Regiocontrol by Fluorine in the Synthesis of 4-Methoxycarbonyl Derivatives

Methyl 2,6-difluoro-4-(pivaloylamino)benzoate (3) and the corresponding 4-(tert-butoxycarbonylamino)-analogue 6 have been synthesised by reacting the appropriate 3,5-difluoroaniline derivatives with butyllithium followed by methyl chloroformate.N-(tert-Butoxycarbonyl)-2,3-difluoroaniline (9) required the "super-basic" butyllithium/potassium tert-butoxide mixture to convert it into methyl 4-(tert-butoxycarbonylamino)-2,3-difluorobenzoate (14): the 2,5-difluoro-analogue was formed in a similar manner.In all cases the regiocontrol of metallation was directed by fluorine rather than by the amide substituent.