gamma-Cyano-gamma-ethylbenzenebutanoic acid

Base Information

Chemical Name:gamma-Cyano-gamma-ethylbenzenebutanoic acid
CAS No.:17721-16-3
Molecular Formula:C₁₃H₁₅NO₂
Molecular Weight:217.268
Hs Code.:
DSSTox Substance ID:DTXSID701294326

Synonyms:gamma-Cyano-gamma-ethylbenzenebutanoic acid;DTXSID701294326;17721-16-3

Suppliers and Price of gamma-Cyano-gamma-ethylbenzenebutanoic acid

Supply Marketing:

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

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Chemical Property of gamma-Cyano-gamma-ethylbenzenebutanoic acid

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:217.110278721
Heavy Atom Count:16
Complexity:286

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCC(CCC(=O)O)(C#N)C1=CC=CC=C1

Technology Process of gamma-Cyano-gamma-ethylbenzenebutanoic acid

There total 6 articles about gamma-Cyano-gamma-ethylbenzenebutanoic acid 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:

: 24131-07-5
methyl 2-cyano-2-phenylbutanoate

: 17721-16-3
4-cyano-4-phenylhexanoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: potassium carbonate / methanol; water / 1 h / 20 °C / Inert atmosphere

2: N-benzyl-trimethylammonium hydroxide / methanol; 1,4-dioxane / 3 h / 0 - 20 °C / Inert atmosphere

3: sodium hydroxide / methanol; water / 3 h / 50 °C / Inert atmosphere

With N-benzyl-trimethylammonium hydroxide; potassium carbonate; sodium hydroxide; In 1,4-dioxane; methanol; water; 2: |Michael Addition;
DOI:10.1002/adsc.201501013

Reference yield:

: 4-cyano-4-phenylhexanoic acid methyl ester

: 17721-16-3
4-cyano-4-phenylhexanoic acid

Guidance literature:: With sodium hydroxide; In methanol; water; at 50 ℃; for 3h; Inert atmosphere;
DOI:10.1002/adsc.201501013

Reference yield:

: 769-68-6
2-phenylbutanenitrile

: 17721-16-3
4-cyano-4-phenylhexanoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: N-benzyl-trimethylammonium hydroxide / methanol; 1,4-dioxane / 3 h / 0 - 20 °C / Inert atmosphere

2: sodium hydroxide / methanol; water / 3 h / 50 °C / Inert atmosphere

With N-benzyl-trimethylammonium hydroxide; sodium hydroxide; In 1,4-dioxane; methanol; water; 1: |Michael Addition;
DOI:10.1002/adsc.201501013