6-METHOXY-2-BENZOXAZOLINONE - CAS 532-91-2
Catalog: |
BB028120 |
Product Name: |
6-METHOXY-2-BENZOXAZOLINONE |
CAS: |
532-91-2 |
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- |
Application: |
Anti-convulsant effect |
IUPAC Name: | 6-methoxy-3H-1,3-benzoxazol-2-one |
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. |
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) |
InChI Key: | 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 |
Storage: | Store at RT |
MDL: | MFCD00051726 |
LogP: | 1.12970 |
Quality Standard: | Enterprise Standard |
Refractive Index: | 1.5468 (estimate) |
Publication Number | Title | Priority Date |
CN-113303401-A | Preparation method of piglet feed additive utilizing whole coix plant | 20210611 |
CN-113292373-A | Special fertilizer for rice and preparation method thereof | 20210529 |
CN-113243264-A | Cultivation method for intercropping konjak and coix lacryma-jobi | 20210526 |
CN-113181307-A | Radix puerariae and chicory tea substitute drink and preparation method thereof | 20210518 |
CN-113367146-A | Compound bactericidal preparation for preventing and treating coix seed leaf blight and use method thereof | 20210511 |
PMID | Publication Date | Title | Journal |
22944352 | 20121101 | Benzoxazinoids from Scoparia dulcis (sweet broomweed) with antiproliferative activity against the DU-145 human prostate cancer cell line | Phytochemistry |
22982975 | 20121101 | Strong pituitary and hypothalamic responses to photoperiod but not to 6-methoxy-2-benzoxazolinone in female common voles (Microtus arvalis) | General and comparative endocrinology |
22862955 | 20120901 | Depletion of mboa-7, an enzyme that incorporates polyunsaturated fatty acids into phosphatidylinositol (PI), impairs PI 3-phosphate signaling in Caenorhabditis elegans | Genes to cells : devoted to molecular & cellular mechanisms |
22500621 | 20120509 | Concentrations and allelopathic effects of benzoxazinoid compounds in soil treated with rye (Secale cereale) cover crop | Journal of agricultural and food chemistry |
22482701 | 20120406 | Effect of the aqueous extract of Senecio biafrae (Oliv. & Hiern) J. Moore on sexual maturation of immature female rat | BMC complementary and alternative medicine |
Complexity: | 195 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.042593085 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.042593085 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 47.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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