Acetamide, N-(3,5-dimethyl-4-oxo-2,5-cyclohexadien-1-ylidene)-

Base Information

Chemical Name:Acetamide, N-(3,5-dimethyl-4-oxo-2,5-cyclohexadien-1-ylidene)-
CAS No.:74827-85-3
Molecular Formula:C10H11 N O2
Molecular Weight:177.203
Hs Code.:
DSSTox Substance ID:DTXSID90996342
Nikkaji Number:J415.687K
Mol file:74827-85-3.mol

Synonyms:3,5-dimethyl-NAPQI;acetyl-3,5-dimethyl-p-benzoquinoneimine;N-acetyl-3,5-dimethyl-4-benzoquinone imine;NA-3,5-BQI

Suppliers and Price of Acetamide, N-(3,5-dimethyl-4-oxo-2,5-cyclohexadien-1-ylidene)-

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

Adipogen Life Sciences
3,5-Dimethyl-NAPQI ≥95.0%(HPLC)
25 mg
$ 447.00

Total 5 raw suppliers

Chemical Property of Acetamide, N-(3,5-dimethyl-4-oxo-2,5-cyclohexadien-1-ylidene)-

Chemical Property:

Vapor Pressure:0.0045mmHg at 25°C
Boiling Point:277.5°C at 760 mmHg
Flash Point:111.8°C
PSA：46.50000
Density:1.09g/cm³
LogP:1.44920
XLogP3:1.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:177.078978594
Heavy Atom Count:13
Complexity:335

Purity/Quality:

98%Min ^*data from raw suppliers

3,5-Dimethyl-NAPQI ≥95.0%(HPLC) ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=NC(=O)C)C=C(C1=O)C

Technology Process of Acetamide, N-(3,5-dimethyl-4-oxo-2,5-cyclohexadien-1-ylidene)-

There total 3 articles about Acetamide, N-(3,5-dimethyl-4-oxo-2,5-cyclohexadien-1-ylidene)- 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: 95.0%

: 22900-79-4
N-(3,5-dimethyl-4-hydroxyphenyl)-acetamide

: 74827-85-3
N-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)acetamide

Guidance literature:: With silver(l) oxide;
DOI:10.3109/00498259609046740

Reference yield:

: 13331-93-6
4-nitroso-2,6-xylenol

: 74827-85-3
N-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)acetamide

Guidance literature:: Multi-step reaction with 2 steps

1: 69 percent / PtO₂, H₂ / acetic acid / 2 h / Ambient temperature

2: 65 percent / Pb(OAc)4 / ethyl acetate / Ambient temperature

With lead(IV) acetate; platinum(IV) oxide; hydrogen; In acetic acid; ethyl acetate;
DOI:10.1021/jm00185a001

Reference yield:

: 576-26-1,25134-01-4
2.6-dimethylphenol

: 74827-85-3
N-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)acetamide

Guidance literature:: Multi-step reaction with 3 steps

1.1: sodium hydroxide; 4-aminobenzene sulfonic acid; sodium carbonate; sodium nitrite; hydrogenchloride / water / 1 h / 0 °C

1.2: 80 °C

2.1: methanol / 0.5 h / 20 °C

3.1: 2,2-diphenyl-1-picrylhydrazyl / [D₃]acetonitrile / 16 h / 20 °C / Inert atmosphere; Darkness

With hydrogenchloride; sodium hydroxide; 2,2-diphenyl-1-picrylhydrazyl; sodium carbonate; sodium nitrite; 4-aminobenzene sulfonic acid; In methanol; [D₃]acetonitrile; water;
DOI:10.1016/j.tet.2012.09.098