3-Methoxy-2-methylpropanenitrile

Base Information

• Chemical Name: 3-Methoxy-2-methylpropanenitrile
• CAS No.: 31413-67-9
• Molecular Formula: C5H9NO
• Molecular Weight: 99.1326
• DSSTox Substance ID: DTXSID40530871
• Nikkaji Number: J1.743.500K
• Mol file: 31413-67-9.mol

Synonyms:3-methoxy-2-methylpropanenitrile;31413-67-9;DTXSID40530871;ZGQCHFHNSDAMCY-UHFFFAOYSA-N;Propanenitrile, 2-methyl-3-methoxy;MFCD11653265;AKOS005174696;LS-04701;CS-0139338;EN300-61926;C77646;Z406337826

Chemical Property of 3-Methoxy-2-methylpropanenitrile

Chemical Property:

• PSA: 33.02000
• LogP: 0.79248
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 99.068413911
• Heavy Atom Count: 7
• Complexity: 81.3

Purity/Quality:

98%min ^*data from raw suppliers

3-methoxy-2-methylpropanenitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(COC)C#N

Technology Process of 3-Methoxy-2-methylpropanenitrile

There total 3 articles about 3-Methoxy-2-methylpropanenitrile 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) + methacrylonitrile (126-98-7,25067-61-2) → β-methoxy-isobutyronitrile (31413-67-9)

Guidance literature:

With sodium methylate;

DOI:10.1021/ja01162a087

Reference yield:

2-bromo-2-methyl-propionitrile (41658-69-9) + sodium methylate (124-41-4) → β-methoxy-isobutyronitrile (31413-67-9)

Guidance literature:

With methanol;

DOI:10.1021/ja01162a087

Reference yield:

→ β-methoxy-isobutyronitrile (31413-67-9)

Guidance literature:

/BRN= 739138/ (9), NaOCH3/Me. <Δ>;

upstream raw materials:

2-bromo-2-methyl-propionitrile

sodium methylate

methanol

methacrylonitrile

Downstream raw materials:

3-methoxy-2-methylpropionic acid methyl ester

methacrylic acid methyl ester

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