2,5-Diamino-3-methyl-6-(prop-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione

Base Information

Chemical Name:2,5-Diamino-3-methyl-6-(prop-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione
CAS No.:81534-93-2
Molecular Formula:C10H12N2O2
Molecular Weight:192.217
Hs Code.:
DSSTox Substance ID:DTXSID10513853
Wikidata:Q82373859

Synonyms:81534-93-2;DTXSID10513853;2,5-Diamino-3-methyl-6-(prop-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione

Suppliers and Price of 2,5-Diamino-3-methyl-6-(prop-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione

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-Diamino-3-methyl-6-(prop-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione

Chemical Property:

XLogP3:0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:192.089877630
Heavy Atom Count:14
Complexity:389

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)N)CC=C)N

Technology Process of 2,5-Diamino-3-methyl-6-(prop-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione

There total 9 articles about 2,5-Diamino-3-methyl-6-(prop-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione 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: 42.0%

: 81534-96-5
6-allyl-2,5-dimethoxy-3-methyl-1,4-benzoquinone

: 81534-93-2
6-allyl-2,5-diamino-3-methyl-1,4-benzoquinone

Guidance literature:: With ammonia; In ethanol; at 52 ℃; for 3h;
DOI:10.1021/jo00134a018

Reference yield:

: 488-48-2
tetrabromobenzoquinone

: 81534-93-2
6-allyl-2,5-diamino-3-methyl-1,4-benzoquinone

Guidance literature:: Multi-step reaction with 7 steps

1: 74 percent / NH₃ / ethanol / 8 h / Heating

2: 90 percent / Na₂S₂O₄, H₂O

3: 76 percent / molecular sieves / tetrahydrofuran / 2 h / Heating; molecular sieves

4: 76 percent / polyphosphate ester (PPE) / 1 h / 110 - 150 °C

5: 1.) n-butyllithium / 1.) THF, hexane, -78 deg C, 1 h, 2.) THf, hexane, room temp., 24 h

6: 1.) n-butyllithium, 2.) CuI / 1.) THF, hexane, -78 deg C, 1 h, 2.) THF, hexane, room temp., a) 1.5 h, b) 45-50 deg C, 18 h

7: 1.) ZnCl₂, 4 N HCl, 2.) Na₂CO₃, O₂ / 1.) ethanol, reflux, 96 h, 2.) room temp., 5 h

With hydrogenchloride; copper(l) iodide; n-butyllithium; sodium dithionite; molecular sieve; polyphosphate ester; ammonia; water; oxygen; sodium carbonate; zinc(II) chloride; In tetrahydrofuran; ethanol;
DOI:10.1021/jo00134a018

Reference yield:

: 27344-26-9
3,6-diamino-2,5-dibromo-1,4-benzoquinone

: 81534-93-2
6-allyl-2,5-diamino-3-methyl-1,4-benzoquinone

Guidance literature:: Multi-step reaction with 6 steps

1: 90 percent / Na₂S₂O₄, H₂O

2: 76 percent / molecular sieves / tetrahydrofuran / 2 h / Heating; molecular sieves

3: 76 percent / polyphosphate ester (PPE) / 1 h / 110 - 150 °C

4: 1.) n-butyllithium / 1.) THF, hexane, -78 deg C, 1 h, 2.) THf, hexane, room temp., 24 h

5: 1.) n-butyllithium, 2.) CuI / 1.) THF, hexane, -78 deg C, 1 h, 2.) THF, hexane, room temp., a) 1.5 h, b) 45-50 deg C, 18 h

6: 1.) ZnCl₂, 4 N HCl, 2.) Na₂CO₃, O₂ / 1.) ethanol, reflux, 96 h, 2.) room temp., 5 h

With hydrogenchloride; copper(l) iodide; n-butyllithium; sodium dithionite; molecular sieve; polyphosphate ester; water; oxygen; sodium carbonate; zinc(II) chloride; In tetrahydrofuran;
DOI:10.1021/jo00134a018