Benzeneacetonitrile, 4-[1-hydroxy-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]butyl]-alpha,alpha-dimethyl-

Base Information

Chemical Name:Benzeneacetonitrile, 4-[1-hydroxy-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]butyl]-alpha,alpha-dimethyl-
CAS No.:169032-19-3
Molecular Formula:C₃₂H₃₈N₂O₂
Molecular Weight:482.666
Hs Code.:
European Community (EC) Number:811-752-1
DSSTox Substance ID:DTXSID901020937

Synonyms:SCHEMBL9233224;DTXSID901020937;169032-19-3;Benzeneacetonitrile, 4-[1-hydroxy-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]butyl]-alpha,alpha-dimethyl-

Suppliers and Price of Benzeneacetonitrile, 4-[1-hydroxy-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]butyl]-alpha,alpha-dimethyl-

Supply Marketing:

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

Manufacturers and distributors:

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Total 1 raw suppliers

Chemical Property of Benzeneacetonitrile, 4-[1-hydroxy-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]butyl]-alpha,alpha-dimethyl-

Chemical Property:

Boiling Point:676.6±55.0 °C(Predicted)
Density:1.130±0.06 g/cm3(Predicted)
XLogP3:5.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:9
Exact Mass:482.293328459
Heavy Atom Count:36
Complexity:681

Purity/Quality:: 99.9% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C#N)C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O

Technology Process of Benzeneacetonitrile, 4-[1-hydroxy-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]butyl]-alpha,alpha-dimethyl-

There total 7 articles about Benzeneacetonitrile, 4-[1-hydroxy-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]butyl]-alpha,alpha-dimethyl- 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: 91.0%

: 394222-36-7
2-(4-(4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butanoyl)phenyl)-2-methylpropanenitrile

: 169032-19-3
2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butyl}phenyl)-2-methylpropionitrile

Guidance literature:: With sodium tetrahydroborate; In butan-1-ol; at 70 ℃; for 4h;

Reference yield: 72.0%

: 169280-06-2
2-(4-cyclopropanecarbonyl-phenyl)-2-methyl-propionitrile

: 115-46-8
C₁₈H₂₁NO

: 169032-19-3
2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butyl}phenyl)-2-methylpropionitrile

Guidance literature:: 2-(4-cyclopropanecarbonyl-phenyl)-2-methyl-propionitrile; C₁₈H₂₁NO; With lithium chloride; In para-xylene; at 150 ℃; for 22h;

With sodium tetrahydroborate; water; In ethanol; toluene; for 1.33333h;

Reference yield:

: 101184-73-0
2-(4-bromophenyl)-2-methylpropanenitrile

: 169032-19-3
2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butyl}phenyl)-2-methylpropionitrile

Guidance literature:: Multi-step reaction with 5 steps

1: 85 percent / Et₃N; CuBr / (Ph₃P)4Pd / 3 h / Heating

2: pyridine / CH₂Cl₂ / 20 h / 20 °C

3: K₂CO₃ / acetonitrile / 15 h / Heating

4: 54 percent / H₂O; H₂SO₄; HgO / methanol / 3 h / 55 °C

5: NaBH₄

With pyridine; sodium tetrahydroborate; sulfuric acid; water; potassium carbonate; triethylamine; mercury(II) oxide; copper(I) bromide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In methanol; dichloromethane; acetonitrile; 1: Alkylation / 2: Mesylation / 3: Substitution / 4: Hydration / 5: Reduction;
DOI:10.1016/S0014-827X(99)00070-1