Benzene, 1-methoxy-4-nitro-2-(2-propynyloxy)-

Base Information

Chemical Name:Benzene, 1-methoxy-4-nitro-2-(2-propynyloxy)-
CAS No.:89228-66-0
Molecular Formula:C10H9NO4
Molecular Weight:207.186
Hs Code.:
DSSTox Substance ID:DTXSID70392560
Wikidata:Q82190900
Mol file:89228-66-0.mol

Synonyms:89228-66-0;Benzene, 1-methoxy-4-nitro-2-(2-propynyloxy)-;1-methoxy-4-nitro-2-prop-2-ynoxybenzene;1-methoxy-4-nitro-2-(prop-2-yn-1-yloxy)benzene;1-methoxy-4-nitro-2-(2-propynyloxy)benzene;SCHEMBL3705751;SCHEMBL19214198;DTXSID70392560;NOQXZRFEQHNLDE-UHFFFAOYSA-N;AKOS005099306;1-Methoxy-4-nitro-2-prop-2-ynyloxy-benzene;6X-0837;SR-01000307338;SR-01000307338-1

Suppliers and Price of Benzene, 1-methoxy-4-nitro-2-(2-propynyloxy)-

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

American Custom Chemicals Corporation
1-METHOXY-4-NITRO-2-(2-PROPYNYLOXY)BENZENE 95.00%
10MG
$ 679.14

American Custom Chemicals Corporation
1-METHOXY-4-NITRO-2-(2-PROPYNYLOXY)BENZENE 95.00%
1MG
$ 647.61

Total 3 raw suppliers

Chemical Property of Benzene, 1-methoxy-4-nitro-2-(2-propynyloxy)-

Chemical Property:

PSA：64.28000
LogP:2.13860
XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:207.05315777
Heavy Atom Count:15
Complexity:264

Purity/Quality:: 1-METHOXY-4-NITRO-2-(2-PROPYNYLOXY)BENZENE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C=C(C=C1)[N+](=O)[O-])OCC#C

Technology Process of Benzene, 1-methoxy-4-nitro-2-(2-propynyloxy)-

There total 2 articles about Benzene, 1-methoxy-4-nitro-2-(2-propynyloxy)- 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: 88.0%

: 624-65-7
2-propynyl chloride

: 89228-66-0
1-methoxy-4-nitro-2-(2-propynyloxy)-benzene

Guidance literature:: 5-nitroguaiacol; With potassium carbonate; In acetone; for 0.5h;

2-propynyl chloride; In acetone; at 65 ℃;

Reference yield: 60.0%

: 636-93-1
5-nitroguaiacol

: 624-65-7
2-propynyl chloride

: 89228-66-0
1-methoxy-4-nitro-2-(2-propynyloxy)-benzene

Guidance literature:: With potassium carbonate; In acetone; for 10h; Heating;
DOI:10.1055/s-1998-2024

Reference yield:

: 89228-66-0
1-methoxy-4-nitro-2-(2-propynyloxy)-benzene

: 3-(2,4-dihydroxy-5-ethylphenyl)-4-(2-methyl-7-methoxybenzofuran-4-yl)-5-mercapto-[1,2,4]triazole

Guidance literature:: Multi-step reaction with 5 steps

1: cesium fluoride; N,N-diethylaniline / 3 h / 210 °C

2: hydrogen / palladium 10% on activated carbon / ethanol / 2 h / 20 °C

3: dichloromethane / 0.5 h / 20 °C

4: ethanol / 0.5 h / 70 °C

5: sodium hydroxide / water / 1.5 h / 110 °C

With sodium hydroxide; hydrogen; cesium fluoride; N,N-diethylaniline; palladium 10% on activated carbon; In ethanol; dichloromethane; water;