Kinetics Database Logo

Kinetics Database Resources

Simple Reaction Search

Search Reaction Database

Search Bibliographic Database

Set Unit Preferences


Rate Our Products and Services


Other Databases

NIST Standard Reference Data Program

NIST Chemistry Web Book

NDRL-NIST Solution Kinetics Database

NIST Computational Chemistry Comparison and Benchmark Database

The NIST Reference on Constants, Units, and Uncertainty


Administrative Links

NIST home page

MML home page

Chemical Sciences Division

  NIST Logo Home
©NIST, 2020
Accessibility information
Author(s):   Ilieva, S.; Galabov, B.; Musaev, D.G.; Morokuma, K.
Title:   Computational study of the aminolysis of 2-benzoxazolinone
Journal:   J. Org. Chem.
Volume:   68
Page(s):   3406 - 3412
Year:   2003
Reference type:   Journal article
Squib:   2003ILI/GAL3406-3412

Reaction:   Benzoxazolone + CH3NH2 → Products
Reaction order:   2
Rate expression:   no rate data available
Category:  Theory
Data type:   Ab initio
Comments:   Three possible mechanisms (zwitterionic, neutral stepwise, and neutral concerted) of the ring opening reaction of 2-benzoxazolinone (BO) upon aminolysis with methylamine were studied atthe B3LYP/6-31G* level.

View full bibliographic record.