2,5-Cyclohexadiene-1,4-dione, 2-(12-hydroxy-5,10-dodecadiynyl)-5,6-dimethoxy-3-methyl-

Base Information

Chemical Name:2,5-Cyclohexadiene-1,4-dione, 2-(12-hydroxy-5,10-dodecadiynyl)-5,6-dimethoxy-3-methyl-
CAS No.:80809-95-6
Molecular Formula:C21H26 O5
Molecular Weight:358.434
Hs Code.:
DSSTox Substance ID:DTXSID00230643
Nikkaji Number:J481.231J
Wikidata:Q83111289
Mol file:80809-95-6.mol

Synonyms:AA 863;AA-863

Suppliers and Price of 2,5-Cyclohexadiene-1,4-dione, 2-(12-hydroxy-5,10-dodecadiynyl)-5,6-dimethoxy-3-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
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price

Total 1 raw suppliers

Chemical Property of 2,5-Cyclohexadiene-1,4-dione, 2-(12-hydroxy-5,10-dodecadiynyl)-5,6-dimethoxy-3-methyl-

Chemical Property:

Vapor Pressure:4.28E-15mmHg at 25°C
Boiling Point:564.5°C at 760 mmHg
Flash Point:195.3°C
PSA：72.83000
Density:1.15g/cm³
LogP:2.68890
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:358.17802393
Heavy Atom Count:26
Complexity:727

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCC#CCCCC#CCO

Technology Process of 2,5-Cyclohexadiene-1,4-dione, 2-(12-hydroxy-5,10-dodecadiynyl)-5,6-dimethoxy-3-methyl-

There total 13 articles about 2,5-Cyclohexadiene-1,4-dione, 2-(12-hydroxy-5,10-dodecadiynyl)-5,6-dimethoxy-3-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: 91.0%

: 499-83-2
Pyridine-2,6-dicarboxylic acid

: 108-20-3
di-isopropyl ether

: 80810-44-2
1-(12-hydroxydodeca-5,10-diynyl)-2,3,4,5-tetramethoxy-6-methylbenzene

: 80809-95-6
2-(12-hydroxydodeca-5,10-diynyl)-5,6-dimethoxy-3-methyl-1,4-benzoquinone

Guidance literature:: With cerium (IV) ammonium nitrate; In water; acetonitrile;

Reference yield: 91.0%

: 80810-44-2
1-(12-hydroxydodeca-5,10-diynyl)-2,3,4,5-tetramethoxy-6-methylbenzene

: 80809-95-6
2-(12-hydroxydodeca-5,10-diynyl)-5,6-dimethoxy-3-methyl-1,4-benzoquinone

Guidance literature:: With Pyridine-2,6-dicarboxylic acid; ammonium cerium(IV) nitrate; In water; acetonitrile; at 0 - 2 ℃; for 0.5h;

Reference yield:

: 80823-68-3
1,2,3,4-tetramethoxy-5-methyl-6-(tetrahydrofur-2-yl)benzene

: 80809-95-6
2-(12-hydroxydodeca-5,10-diynyl)-5,6-dimethoxy-3-methyl-1,4-benzoquinone

Guidance literature:: Multi-step reaction with 10 steps

1: 90 percent / 70percent perchloric acid, hydrogen / 5percent palladium-charcoal / acetic acid / 1.5 h / 70 °C

2: triethylamine / CH₂Cl₂ / 1 h / -5 °C

3: sodium iodide / acetone / 2 h / 50 °C

4: 1.) sodium amide / 1.) Et₂O, liquid NH₃, -50 deg C to -40 deg C, 60 min., 2.) -50 deg C to -40 deg C, 100 min.

5: toluene-p-sulphonic acid / methanol / 0.5 h / 70 °C

6: triethylamine / CH₂Cl₂ / 1 h / -5 °C

7: sodium iodide / acetone / 2 h / 50 °C

8: 1.) sodium amide / 1.) Et₂O, liquid ammonia, -50 deg C - -40 deg C, 60 min, 2.) -50 deg C - -40 deg C, 100 min

9: toluene-p-sulphonic acid / methanol / 0.5 h / 70 °C

10: 91 percent / pyridine-2,6-dicarboxylic acid, cerium(IV) ammonium nitrate / acetonitrile; H₂O / 0.5 h / 0 - 2 °C

With perchloric acid; Pyridine-2,6-dicarboxylic acid; ammonium cerium(IV) nitrate; hydrogen; toluene-4-sulfonic acid; sodium amide; triethylamine; sodium iodide; palladium on activated charcoal; In methanol; dichloromethane; water; acetic acid; acetone; acetonitrile;