7-Methoxy-3,7-dimethyloctanenitrile

Base Information

• Chemical Name: 7-Methoxy-3,7-dimethyloctanenitrile
• CAS No.: 69300-17-0
• Molecular Formula: C11H21 N O
• Molecular Weight: 183.294
• European Community (EC) Number: 273-961-9
• DSSTox Substance ID: DTXSID80887659
• Nikkaji Number: J317.969I
• Mol file: 69300-17-0.mol

Synonyms:7-Methoxy-3,7-dimethyloctanenitrile;69300-17-0;Octanenitrile, 7-methoxy-3,7-dimethyl-;EINECS 273-961-9;3,7-Dimethyl-7-methoxyoctanonitrile;SCHEMBL11296883;DTXSID80887659

Chemical Property of 7-Methoxy-3,7-dimethyloctanenitrile

Chemical Property:

• Vapor Pressure: 0.00804mmHg at 25°C
• Boiling Point: 267.7°C at 760 mmHg
• Flash Point: 112.1°C
• PSA: 33.02000
• Density: 0.871g/cm³
• LogP: 3.13148
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 183.162314293
• Heavy Atom Count: 13
• Complexity: 178

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCCC(C)(C)OC)CC#N

Technology Process of 7-Methoxy-3,7-dimethyloctanenitrile

There total 1 articles about 7-Methoxy-3,7-dimethyloctanenitrile 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:

methanol (67-56-1) + 6-Methyl-hept-5-en-2-on (110-93-0,129085-68-3) + diethyl 1-cyanomethylphosphonate (2537-48-6) → 7-methoxy-3,7-dimethyl-octanenitrile (69300-17-0)

Guidance literature:

Multistep reaction; (i) , (ii) NaBH₄, (iii) /BRN= 1098229/, H⁺;

DOI:10.1002/hlca.19780610727

Reference yield:

7-methoxy-3,7-dimethyl-octanenitrile (69300-17-0) → 7-methoxy-3,7-dimethyloctanal (3613-30-7)

Guidance literature:

With acetic acid; zinc; cob(I)alamin; Ambient temperature;

DOI:10.1002/hlca.19780610727

upstream raw materials:

methanol

6-Methyl-hept-5-en-2-on

diethyl 1-cyanomethylphosphonate

Downstream raw materials:

7-methoxy-3,7-dimethyloctanal