Coixol

Base Information

Chemical Name:Coixol
CAS No.:532-91-2
Molecular Formula:C8H7 N O3
Molecular Weight:165.16
Hs Code.:2934999090
DSSTox Substance ID:DTXSID30201260
Nikkaji Number:J11.724B
Wikidata:Q72461252
Metabolomics Workbench ID:135368
ChEMBL ID:CHEMBL454809
Mol file:532-91-2.mol

Synonyms:6-MBOA;6-methoxy-2-benzoxazolinone;6-methoxybenzoxazolinone;coixol

Suppliers and Price of Coixol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

AK Scientific
Coixol
250mg
$ 104.00

Alfa Aesar
6-Methoxy-2(3H)-benzoxazolone, 98+%
250mg
$ 46.10

Alfa Aesar
6-Methoxy-2(3H)-benzoxazolone, 98+%
1g
$ 120.00

American Custom Chemicals Corporation
6-METHOXY-2-BENZOXAZOLINONE 95.00%
1G
$ 789.51

Apolloscientific
6-Methoxy-2(3H)-benzoxazolone
250mg
$ 116.00

Apolloscientific
6-Methoxy-2(3H)-benzoxazolone
1g
$ 201.00

Arctom
Coixol ≥98%
20mg
$ 70.00

Arctom
6-Methoxybenzo[d]oxazol-2(3H)-one ≥98%
1g
$ 108.00

Arctom
6-Methoxybenzo[d]oxazol-2(3H)-one ≥98%
250mg
$ 31.00

Arctom
6-Methoxybenzo[d]oxazol-2(3H)-one ≥98%
5g
$ 330.00

Total 57 raw suppliers

Chemical Property of Coixol

Chemical Property:

Melting Point:151-156 °C(lit.)
Refractive Index:1.5468 (estimate)
Boiling Point:°Cat760mmHg
PKA:8.73±0.70(Predicted)
Flash Point:°C
PSA：55.23000
Density:1.309g/cm³
LogP:1.12970
Storage Temp.:2-8°C
Solubility.:Acetone, Dichloromethane, Methanol, Tetrahydrofuran
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:165.042593085
Heavy Atom Count:12
Complexity:195

Purity/Quality:

99%, ^*data from raw suppliers

Coixol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:COC1=CC2=C(C=C1)NC(=O)O2
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.

Technology Process of Coixol

There total 32 articles about Coixol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 73.0%

: 40925-70-0
2-amino-5-methoxyphenol

: 530-62-1
1,1'-carbonyldiimidazole

: 532-91-2
coixol

Guidance literature:: In tetrahydrofuran; for 4h; Heating;
DOI:10.1002/jhet.5570190660

Reference yield: 55.0%

: 88522-69-4
4-methoxy-2-hydroxyphenylurea

: 532-91-2
coixol

Guidance literature:: at 165 ℃; for 0.5h;
DOI:10.1002/jhet.5570200555

Reference yield: 54.0%

: 15893-52-4,147802-15-1,147802-16-2,588716-65-8
2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one

: 109-73-9,85404-21-3
N-butylamine

: 532-91-2
coixol

: N'-Butyl-2-[(E)-butylimino]-N-hydroxy-N-(2-hydroxy-4-methoxy-phenyl)-acetamidine

Guidance literature:: In ethanol; at 30 ℃; Rate constant; Equilibrium constant; Product distribution; also other reactants (2,7-dimethoxy-4-hydroxy-1,4-benzoxazin-3-one and 7-methoxy-2-hydroxy-1,4-benzoxazin-3-one);
DOI:10.1016/S0031-9422(00)97869-5