2-Methyldecahydroquinoxaline

Base Information

• Chemical Name: 2-Methyldecahydroquinoxaline
• CAS No.: 98951-18-9
• Molecular Formula: C₉H₁₈N₂
• Molecular Weight: 154.255
• DSSTox Substance ID: DTXSID70698599
• Mol file: 98951-18-9.mol

Synonyms:2-METHYLDECAHYDROQUINOXALINE;98951-18-9;QUINOXALINE, DECAHYDRO-2-METHYL- (6CI);2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline;SCHEMBL3816861;DTXSID70698599;2-METHYL-DECAHYDROQUINOXALINE

Chemical Property of 2-Methyldecahydroquinoxaline

Chemical Property:

• PSA: 24.06000
• LogP: 1.53650
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 154.146998583
• Heavy Atom Count: 11
• Complexity: 136

Purity/Quality:

99%min ^*data from raw suppliers

decahydro-2-methyl-Quinoxaline 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CNC2CCCCC2N1

Technology Process of 2-Methyldecahydroquinoxaline

There total 3 articles about 2-Methyldecahydroquinoxaline 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:

cyclohexane-1,2-dione (765-87-7) + 1,2-diaminopropan (78-90-0,10424-38-1) → 2-methyl-decahydro-quinoxaline (98951-18-9)

Guidance literature:

With glucose-6-phosphate dehydrogenase; glucose-6-phosphate; Myxococcus stipitatus R-selective imine reductase; NADPH; magnesium chloride; In aq. phosphate buffer; at 25 ℃; for 4h; pH=7; Enzymatic reaction;

DOI:10.1021/acscatal.8b00291

Reference yield:

rac-diaminocyclohexane (694-83-7) + 2-oxopropanal (78-98-8) → 2-methyl-decahydro-quinoxaline (98951-18-9)

Guidance literature:

With glucose-6-phosphate dehydrogenase; glucose-6-phosphate; Myxococcus stipitatus R-selective imine reductase; NADPH; magnesium chloride; In aq. phosphate buffer; at 25 ℃; for 4h; pH=7; Enzymatic reaction;

DOI:10.1021/acscatal.8b00291

Reference yield:

2-methylquinoxaline (7251-61-8) → 2-methyl-decahydro-quinoxaline (98951-18-9)

Guidance literature:

With palladium on activated charcoal; ethanol; at 180 ℃; under 36775.4 Torr; Hydrogenation;

upstream raw materials:

2-methylquinoxaline

cyclohexane-1,2-dione

1,2-diaminopropan

rac-diaminocyclohexane

Refernces