3-Hydroxy-2,3-dimethylbutanenitrile

Base Information

• Chemical Name: 3-Hydroxy-2,3-dimethylbutanenitrile
• CAS No.: 51776-02-4
• Molecular Formula: C6H11NO
• Molecular Weight: 113.159
• DSSTox Substance ID: DTXSID80496806
• Nikkaji Number: J854.744K
• Mol file: 51776-02-4.mol

Synonyms:3-Hydroxy-2,3-dimethylbutanenitrile;51776-02-4;SCHEMBL11641828;DTXSID80496806;AKOS017674261

Chemical Property of 3-Hydroxy-2,3-dimethylbutanenitrile

Chemical Property:

• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 113.084063974
• Heavy Atom Count: 8
• Complexity: 120

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C#N)C(C)(C)O

Technology Process of 3-Hydroxy-2,3-dimethylbutanenitrile

There total 4 articles about 3-Hydroxy-2,3-dimethylbutanenitrile 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:

2-methyl-but-3-yn-2-ol (115-19-5) → 2-methyl-but-2-ene (513-35-9) + 2-methyl-3-buten-2-ol (115-18-4) + 3-Hydroxy-2,3-dimethyl-butyronitrile (51776-02-4) + 3-Methyl-1-butene (563-45-1)

Guidance literature:

With hydrogen; pentacyanocobaltate(II)^(3-); In water; at 45 ℃; for 10h; under 760 Torr; Yield given. Yields of byproduct given. Title compound not separated from byproducts; / : 1;

DOI:10.1039/P29830001915

Reference yield:

2-methyl-but-3-yn-2-ol (115-19-5) → 2-methyl-but-2-ene (513-35-9) + 2-methyl-3-buten-2-ol (115-18-4) + 3-Hydroxy-2,3-dimethyl-butyronitrile (51776-02-4) + 3-Methyl-1-butene (563-45-1)

Guidance literature:

With hydrogen; In water; at 45 ℃; for 10h; under 760 Torr; Yield given. Yields of byproduct given; / : 1;

DOI:10.1039/P29830001915

Reference yield:

2-methyl-but-3-yn-2-ol (115-19-5) → 2-methyl-but-2-ene (513-35-9) + 2-methyl-3-buten-2-ol (115-18-4) + 3-Hydroxy-2,3-dimethyl-butyronitrile (51776-02-4) + 3-hydroxy-3-methyl-2-methylenebutanenitrile (89003-17-8) + 3-Methyl-1-butene (563-45-1)

Guidance literature:

With pentacyanocobaltate(II)^(3-); hydrogen; In water; for 10h; under 760 Torr; Product distribution; Mechanism; different reagent ratio;

DOI:10.1039/P29830001915

upstream raw materials:

2-methyl-but-3-yn-2-ol

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