4-[2-(4-Methoxyphenyl)ethyl]-1-piperazineacetonitrile

Base Information

Chemical Name:4-[2-(4-Methoxyphenyl)ethyl]-1-piperazineacetonitrile
CAS No.:119784-76-8
Molecular Formula:C₁₅H₂₁N₃O
Molecular Weight:259.351
Hs Code.:
DSSTox Substance ID:DTXSID001215032

Synonyms:119784-76-8;4-[2-(4-Methoxyphenyl)ethyl]-1-piperazineacetonitrile;DTXSID001215032;AKOS011214197

Suppliers and Price of 4-[2-(4-Methoxyphenyl)ethyl]-1-piperazineacetonitrile

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

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Chemical Property of 4-[2-(4-Methoxyphenyl)ethyl]-1-piperazineacetonitrile

Chemical Property:

XLogP3:1.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:259.168462302
Heavy Atom Count:19
Complexity:296

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC1=CC=C(C=C1)CCN2CCN(CC2)CC#N

Technology Process of 4-[2-(4-Methoxyphenyl)ethyl]-1-piperazineacetonitrile

There total 4 articles about 4-[2-(4-Methoxyphenyl)ethyl]-1-piperazineacetonitrile 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: 66.0%

: 55455-94-2
1-[2-(4-methoxyphenyl)-ethyl]piperazine

: 107-14-2
chloroacetonitrile

: 119784-76-8
1-(p-methoxyphenethyl)-4-(cyanomethyl)piperazine

Guidance literature:: at 80 ℃; for 3h;
DOI:10.1002/jps.2600770902

Reference yield:

: 104-01-8
4-Methoxyphenylacetic acid

: 119784-76-8
1-(p-methoxyphenethyl)-4-(cyanomethyl)piperazine

Guidance literature:: Multi-step reaction with 4 steps

1: 98 percent / dicyclohexylcarbodiimide / CH₂Cl₂ / 1.) room temperature, 2 h, 2.) refrigerator, 1 h

2: 81 percent / AcOH, HBr / 2 h / 60 °C

3: 61 percent / LiAlH₄ / diethyl ether / Heating

4: 66 percent / 3 h / 80 °C

With lithium aluminium tetrahydride; hydrogen bromide; acetic acid; dicyclohexyl-carbodiimide; In diethyl ether; dichloromethane;
DOI:10.1002/jps.2600770902

Reference yield:

: 119784-74-6
1-benzyloxycarbonyl-4-p-methoxybenzylcarbonylpiperazine

: 119784-76-8
1-(p-methoxyphenethyl)-4-(cyanomethyl)piperazine

Guidance literature:: Multi-step reaction with 3 steps

1: 81 percent / AcOH, HBr / 2 h / 60 °C

2: 61 percent / LiAlH₄ / diethyl ether / Heating

3: 66 percent / 3 h / 80 °C

With lithium aluminium tetrahydride; hydrogen bromide; acetic acid; In diethyl ether;
DOI:10.1002/jps.2600770902