alpha-Acetyl-3-methoxy-4-methylbenzeneacetonitrile

Base Information

Chemical Name:alpha-Acetyl-3-methoxy-4-methylbenzeneacetonitrile
CAS No.:64829-32-9
Molecular Formula:C₁₂H₁₃NO₂
Molecular Weight:203.241
Hs Code.:
DSSTox Substance ID:DTXSID301246537

Synonyms:64829-32-9;alpha-Acetyl-3-methoxy-4-methylbenzeneacetonitrile;DTXSID301246537;AKOS005216915

Suppliers and Price of alpha-Acetyl-3-methoxy-4-methylbenzeneacetonitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of alpha-Acetyl-3-methoxy-4-methylbenzeneacetonitrile

Chemical Property:

XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:203.094628657
Heavy Atom Count:15
Complexity:279

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(C=C(C=C1)C(C#N)C(=O)C)OC

Technology Process of alpha-Acetyl-3-methoxy-4-methylbenzeneacetonitrile

There total 4 articles about alpha-Acetyl-3-methoxy-4-methylbenzeneacetonitrile 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:

: 586-30-1
3-hydroxy-4-methylbenzoic acid

: 64829-32-9
1-Cyano-1-(3-methoxy-4-methylphenyl)-aceton

Guidance literature:: Multi-step reaction with 5 steps

1: aq. NaOH

2: LiAlH₄

3: SOCl₂

4: dimethylformamide

5: NaOEt

With sodium hydroxide; lithium aluminium tetrahydride; thionyl chloride; sodium ethanolate; In N,N-dimethyl-formamide;
DOI:10.1135/cccc19772240

Reference yield:

: 7151-68-0
3-methoxy-p-toluic acid

: 64829-32-9
1-Cyano-1-(3-methoxy-4-methylphenyl)-aceton

Guidance literature:: Multi-step reaction with 4 steps

1: LiAlH₄

2: SOCl₂

3: dimethylformamide

4: NaOEt

With lithium aluminium tetrahydride; thionyl chloride; sodium ethanolate; In N,N-dimethyl-formamide;
DOI:10.1135/cccc19772240

Reference yield:

: 4685-50-1
3-methoxy-4-methylbenzyl alcohol

: 64829-32-9
1-Cyano-1-(3-methoxy-4-methylphenyl)-aceton

Guidance literature:: Multi-step reaction with 3 steps

1: SOCl₂

2: dimethylformamide

3: NaOEt

With thionyl chloride; sodium ethanolate; In N,N-dimethyl-formamide;
DOI:10.1135/cccc19772240