Benzene, 1,4-dimethoxy-5-(methylthio)-2-(2-nitro-1-propenyl)-

Base Information

Chemical Name:Benzene, 1,4-dimethoxy-5-(methylthio)-2-(2-nitro-1-propenyl)-
CAS No.:61638-05-9
Molecular Formula:C12H15NO4S
Molecular Weight:269.31700
Hs Code.:
DSSTox Substance ID:DTXSID60347544

Synonyms:61638-05-9;Benzene, 1,4-dimethoxy-5-(methylthio)-2-(2-nitro-1-propenyl)-;DTXSID60347544

Suppliers and Price of Benzene, 1,4-dimethoxy-5-(methylthio)-2-(2-nitro-1-propenyl)-

Supply Marketing:

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

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Chemical Property of Benzene, 1,4-dimethoxy-5-(methylthio)-2-(2-nitro-1-propenyl)-

Chemical Property:

PSA：89.58000
LogP:3.58640
XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:269.07217913
Heavy Atom Count:18
Complexity:316

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=CC1=CC(=C(C=C1OC)SC)OC)[N+](=O)[O-]

Technology Process of Benzene, 1,4-dimethoxy-5-(methylthio)-2-(2-nitro-1-propenyl)-

There total 5 articles about Benzene, 1,4-dimethoxy-5-(methylthio)-2-(2-nitro-1-propenyl)- 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%

: 79-24-3
Nitroethane

: 61638-04-8
2,5-dimethoxy-4-methylsulfidebenzaldehyde

: 61638-05-9
1-(2,5-dimethoxy-4-methylthiophenyl)-2-nitro-1-propene

Guidance literature:: With ammonium acetate; Heating;
DOI:10.1021/jm0493109

Reference yield:

: 1483-27-8
2,5-dimethoxythiophenol

: 61638-05-9
1-(2,5-dimethoxy-4-methylthiophenyl)-2-nitro-1-propene

Guidance literature:: Multi-step reaction with 3 steps

1.1: KOH / methanol / 1 h

1.2: 99 percent / methanol / 0.5 h / Heating

2.1: POCl₃ / 40 - 50 °C

2.2: 73 percent / 0.25 h / 70 °C

3.1: 73 percent / NH₄OAc / Heating

With potassium hydroxide; ammonium acetate; trichlorophosphate; In methanol; 2.1: Vilsmeier reaction;
DOI:10.1021/jm0493109

Reference yield:

: 1483-28-9
2,5-dimethoxybenzene-1-sulfonyl chloride

: 61638-05-9
1-(2,5-dimethoxy-4-methylthiophenyl)-2-nitro-1-propene

Guidance literature:: Multi-step reaction with 4 steps

1.1: 99 percent / Zn; aq. HCl

2.1: KOH / methanol / 1 h

2.2: 99 percent / methanol / 0.5 h / Heating

3.1: POCl₃ / 40 - 50 °C

3.2: 73 percent / 0.25 h / 70 °C

4.1: 73 percent / NH₄OAc / Heating

With hydrogenchloride; potassium hydroxide; ammonium acetate; zinc; trichlorophosphate; In methanol; 3.1: Vilsmeier reaction;
DOI:10.1021/jm0493109