2,5-Cyclohexadiene-1,4-dione, 2-[(3-methoxyphenyl)amino]-5-methyl-

Base Information

Chemical Name:2,5-Cyclohexadiene-1,4-dione, 2-[(3-methoxyphenyl)amino]-5-methyl-
CAS No.:135082-73-4
Molecular Formula:C₁₄H₁₃NO₃
Molecular Weight:243.262
Hs Code.:
DSSTox Substance ID:DTXSID00461990
Nikkaji Number:J361.598G
Wikidata:Q82286454
Mol file:135082-73-4.mol

Synonyms:135082-73-4;2,5-Cyclohexadiene-1,4-dione, 2-[(3-methoxyphenyl)amino]-5-methyl-;SCHEMBL17817055;DTXSID00461990

Suppliers and Price of 2,5-Cyclohexadiene-1,4-dione, 2-[(3-methoxyphenyl)amino]-5-methyl-

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

Total 5 raw suppliers

Chemical Property of 2,5-Cyclohexadiene-1,4-dione, 2-[(3-methoxyphenyl)amino]-5-methyl-

Chemical Property:

XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:243.08954328
Heavy Atom Count:18
Complexity:423

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC(=O)C(=CC1=O)NC2=CC(=CC=C2)OC

Technology Process of 2,5-Cyclohexadiene-1,4-dione, 2-[(3-methoxyphenyl)amino]-5-methyl-

There total 2 articles about 2,5-Cyclohexadiene-1,4-dione, 2-[(3-methoxyphenyl)amino]-5-methyl- 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: 50.0%

: 536-90-3,918666-97-4
m-Anisidine

: 553-97-9
2-Methyl-1,4-benzoquinone

: 135082-74-5
2-(3-Methoxyanilino)-6-methyl-1,4-benzoquinone

: 135082-73-4
2-(3-Methoxyanilino)-5-methyl-1,4-benzoquinone

Guidance literature:: In water; acetic acid; for 5h; Ambient temperature;
DOI:10.1248/cpb.39.328

Reference yield: 26.0%

: 536-90-3,918666-97-4
m-Anisidine

: 553-97-9
2-Methyl-1,4-benzoquinone

: 135082-73-4
2-(3-Methoxyanilino)-5-methyl-1,4-benzoquinone

Guidance literature:: 2-Methyl-1,4-benzoquinone; In water; at 60 ℃; for 0.5h;

m-Anisidine; With acetic acid; In water; at 20 ℃; for 15h;
DOI:10.1016/j.bmcl.2019.06.038

Reference yield:

: 135082-73-4
2-(3-Methoxyanilino)-5-methyl-1,4-benzoquinone

: 96861-91-5
pyrayaquinone B

Guidance literature:: Multi-step reaction with 7 steps

1: palladium diacetate; acetic acid / 4.5 h / Reflux; Inert atmosphere

2: sodium dithionite / water; dichloromethane

3: tetra-(n-butyl)ammonium iodide; boron tribromide / dichloromethane / 0.5 h / 0 - 40 °C / Inert atmosphere

4: air / water; dichloromethane / 0.17 h / 0 °C

5: tetrakis(triphenylphosphine) palladium⁽⁰⁾ / tetrahydrofuran / 24 h / 20 °C

6: water / 24 h / 80 °C

7: 2,3-dicyano-5,6-dichloro-p-benzoquinone / toluene; 1,4-dioxane / 1 h / 80 °C

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium dithionite; water; palladium diacetate; boron tribromide; tetra-(n-butyl)ammonium iodide; acetic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In tetrahydrofuran; 1,4-dioxane; dichloromethane; water; toluene; 6: |Claisen Rearrangement;
DOI:10.1039/c5ob00852b