6-METHOXY-2-BENZOXAZOLINONE

For Research Use Only.
Category
Alkaloids
Cat.No.
NP0077
CAS
532-91-2
Product Name
6-METHOXY-2-BENZOXAZOLINONE
Structure

Product Details

Description
6-Methoxy-2-benzoxazolinone is an alkaloid isolated from the seed of Coix lacryma-jobi L. var. meyuan (Romen.) Stapf. It acts as a central muscle relaxant with an anti-convulsant effect.
Synonyms
Coixol; MBOA; 6-Methoxybenzoxazolinone; 6-MBOA; 6-Methoxy-2(3H)-benzoxazolone; 6-Methoxy-1,3-benzoxazol-2(3H)-one; 6-methoxy-3H-benzooxazol-2-one; 6-methoxy-benzoxazolin-2(3H)-one; 2(3H)-Benzoxazolone, 6-methoxy-
IUPAC Name
6-methoxy-3H-1,3-benzoxazol-2-one
Molecular Weight
165.15
Molecular Formula
C8H7NO3
Canonical SMILES
COC1=CC2=C(C=C1)NC(=O)O2
InChI
InChI=1S/C8H7NO3/c1-11-5-2-3-6-7(4-5)12-8(10)9-6/h2-4H,1H3,(H,9,10)
InChIKey
MKMCJLMBVKHUMS-UHFFFAOYSA-N
Boiling Point
292.97°C (rough estimate)
Melting Point
151-156°C
Purity
≥95%
Density
1.309 g/cm3
Solubility
Soluble in Acetone, Dichloromethane, DMSO, Methanol, Tetrahydrofuran
Appearance
Light Tan Solid
Application
Anti-convulsant effect
Storage
Store at RT
BRN
141041
Form
neat
MDL
MFCD00051726
NACRES
NA.22
pKa
8.73±0.70(Predicted)
Refractive Index
1.5468 (estimate)
RTECS
DM5275200
Safety Statements
22-24/25
Uses
6-Methoxybenzoxazolinone is an intermdiate in the synthesis of DIMBOA-4-O-β-D-glucuronide which is a metabolite of DIMBOA which acts as an antifungal and antialgal agent in crops. The benzoxazinone group within the structure allows for these effects.
WGK Germany
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