3,3-dimethyloctahydroquinoxalin-2(1H)-one

Base Information

Chemical Name:3,3-dimethyloctahydroquinoxalin-2(1H)-one
CAS No.:99976-77-9
Molecular Formula:C₁₀H₁₈N₂O
Molecular Weight:182.266
Hs Code.:2933990090
DSSTox Substance ID:DTXSID60512336
Mol file:99976-77-9.mol

Synonyms:3,3-dimethyloctahydroquinoxalin-2(1H)-one;99976-77-9;3,3-dimethyl-decahydroquinoxalin-2-one;3,3-dimethyl-1,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-one;SCHEMBL9567813;DTXSID60512336;WCIJYVHCHODWEJ-UHFFFAOYSA-N;MFCD09731949;AKOS000140133;AKOS016345564;LS-02763;CS-0321586;EN300-7362702

Suppliers and Price of 3,3-dimethyloctahydroquinoxalin-2(1H)-one

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

TRC
3,3-dimethyloctahydroquinoxalin-2(1H)-one
500mg
$ 350.00

Matrix Scientific
3,3-Dimethyloctahydroquinoxalin-2(1H)-one
5g
$ 872.00

Matrix Scientific
3,3-Dimethyloctahydroquinoxalin-2(1H)-one
500mg
$ 189.00

Matrix Scientific
3,3-Dimethyloctahydroquinoxalin-2(1H)-one
1g
$ 291.00

Crysdot
3,3-Dimethyloctahydroquinoxalin-2(1H)-one 95+%
5g
$ 668.00

Chemenu
3,3-Dimethyloctahydroquinoxalin-2(1H)-one 95%
5g
$ 631.00

Biosynth Carbosynth
3,3-Dimethyloctahydroquinoxalin-2(1H)-one
1 g
$ 255.00

Biosynth Carbosynth
3,3-Dimethyloctahydroquinoxalin-2(1H)-one
500 mg
$ 150.00

Biosynth Carbosynth
3,3-Dimethyloctahydroquinoxalin-2(1H)-one
250 mg
$ 85.00

Biosynth Carbosynth
3,3-Dimethyloctahydroquinoxalin-2(1H)-one
2 g
$ 434.00

Total 7 raw suppliers

Chemical Property of 3,3-dimethyloctahydroquinoxalin-2(1H)-one

Chemical Property:

PSA：41.13000
LogP:1.45320
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:182.141913202
Heavy Atom Count:13
Complexity:225

Purity/Quality:

98%min ^*data from raw suppliers

3,3-dimethyloctahydroquinoxalin-2(1H)-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(C(=O)NC2CCCCC2N1)C

Technology Process of 3,3-dimethyloctahydroquinoxalin-2(1H)-one

There total 4 articles about 3,3-dimethyloctahydroquinoxalin-2(1H)-one 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%

: 80636-30-2
1,2,3,4-tetrahydro-3,3-dimethylquinoxalin-2-one

: 71029-04-4,71029-05-5,99976-77-9
cis-3,3-Dimethyldecahydro-2-quinoxalinone

Guidance literature:: With hydrogen; rhodium; In methanol; at 150 ℃; for 4h; under 83600.1 Torr;
DOI:10.1055/s-1982-29706

Reference yield:

: 95-54-5
1,2-diamino-benzene

: 71029-04-4,71029-05-5,99976-77-9
cis-3,3-Dimethyldecahydro-2-quinoxalinone

Guidance literature:: Multi-step reaction with 2 steps

1: 82 percent / aq. NaOH / benzyltriethylammonium chloride / CH₂Cl₂ / 10 °C / overnight

2: 91 percent / H₂ / Rhodium catalyst / methanol / 4 h / 150 °C / 83600.1 Torr

With sodium hydroxide; hydrogen; N-benzyl-N,N,N-triethylammonium chloride; rhodium; In methanol; dichloromethane;
DOI:10.1055/s-1982-29706