2-[3-(1-Cyano-1-methylethyl)-5-(hydroxymethyl)phenyl]-2-methylpropanenitrile

Base Information

Chemical Name:2-[3-(1-Cyano-1-methylethyl)-5-(hydroxymethyl)phenyl]-2-methylpropanenitrile
CAS No.:120511-88-8
Molecular Formula:C15H18N2O
Molecular Weight:242.321
Hs Code.:
European Community (EC) Number:688-517-3
UNII:5893LNR941
Mol file:120511-88-8.mol

Synonyms:120511-88-8;2-[3-(1-CYANO-1-METHYLETHYL)-5-(HYDROXYMETHYL)PHENYL]-2-METHYLPROPANENITRILE;Anastrozole EP Impurity E;Anastrozole impurity E (ep;1,3-Benzenediacetonitrile, 5-(hydroxymethyl)-a1,a1,a3,a3-tetramethyl-;5-(Hydroxymethyl)-alpha,alpha,alpha',alpha'-tetramethyl-1,3-benzenediacetonitrile;2-[3-(2-cyanopropan-2-yl)-5-(hydroxymethyl)phenyl]-2-methylpropanenitrile;5893LNR941;2,2-(5-(Hydroxymethyl)benzene-1,3-diyl)bis(2-methylpropanenitrile);2-(3-(Cyanodimethylmethyl)-5-hydroxymethylphenyl)-2-methylpropionitrile;PLEAQICJSGOGID-UHFFFAOYSA-N;SCHEMBL936470;UNII-5893LNR941;AMY3801;CHEBI:143333;2,2'-[5-(Hydroxymethyl)benzene-1,3-diyl]bis(2-methylpropanenitrile);AKOS025401829;AC-26322;Anastrozole EP Impurity E (2-[3-(Cyanodimethylmethyl)-5-hydroxymethylphenyl]-2-methylpropionitrile);AS-82344;CS-0181857;D88101;2,2'-(5-hydroxymethyl-1,3-phenylene)di(2-methylpropiononitrile);2,2'-(5-hydroxymethyl-1,3-phenylene)di-(2-methylpropiononitrile);1,3-Benzenediacetonitrile, 5-(hydroxymethyl)-alpha1,alpha1,alpha3,alpha3-tetramethyl-;2,2'-(5-(Hydroxymethyl)-1,3-phenylene)bis(2-methylpropanenitrile) (Anastrozole Impurity);5-(Hydroxymethyl)-alpha1,alpha1,alpha3,alpha3-tetramethyl-1,3-benzenediacetonitrile;1,3-BENZENEDIACETONITRILE, 5-(HYDROXYMETHYL)-.ALPHA.1,.ALPHA.1,.ALPHA.3,.ALPHA.3-TETRAMETHYL-;5-(HYDROXYMETHYL)-.ALPHA.1,.ALPHA.1,.ALPHA.3,.ALPHA.3-TETRAMETHYL-1,3-BENZENEDIACETONITRILE

Suppliers and Price of 2-[3-(1-Cyano-1-methylethyl)-5-(hydroxymethyl)phenyl]-2-methylpropanenitrile

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
AnastrozoleEPImpurityE(2-[3-(Cyanodimethylmethyl)-5-hydroxymethylphenyl]-2-methylpropionitrile)
100mg
$ 1620.00

TRC
AnastrozoleEPImpurityE(2-[3-(Cyanodimethylmethyl)-5-hydroxymethylphenyl]-2-methylpropionitrile)
10mg
$ 205.00

Total 23 raw suppliers

Chemical Property of 2-[3-(1-Cyano-1-methylethyl)-5-(hydroxymethyl)phenyl]-2-methylpropanenitrile

Chemical Property:

Melting Point:150-160 °C
Boiling Point:382.3 °C at 760 mmHg
PKA:14.34±0.10(Predicted)
Flash Point:185 °C
PSA：67.81000
Density:1.084 g/cm³
LogP:2.78126
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:242.141913202
Heavy Atom Count:18
Complexity:357

Purity/Quality:

98%,99%, ^*data from raw suppliers

AnastrozoleEPImpurityE(2-[3-(Cyanodimethylmethyl)-5-hydroxymethylphenyl]-2-methylpropionitrile) ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C#N)C1=CC(=CC(=C1)CO)C(C)(C)C#N

Technology Process of 2-[3-(1-Cyano-1-methylethyl)-5-(hydroxymethyl)phenyl]-2-methylpropanenitrile

There total 1 articles about 2-[3-(1-Cyano-1-methylethyl)-5-(hydroxymethyl)phenyl]-2-methylpropanenitrile 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: 99.5%

: 871116-81-3
3,5-bis-(cyano-dimethyl-methyl)-benzoic acid methyl ester

: 120511-88-8
2-[3-(cyano-dimethyl-methyl)-5-hydroxymethyl-phenyl]-2-methyl-propionitrile

Guidance literature:: With lithium borohydride; In tetrahydrofuran; for 3h; Heating;
DOI:10.1039/b707768h

Reference yield: 87.0%

: 120511-88-8
2-[3-(cyano-dimethyl-methyl)-5-hydroxymethyl-phenyl]-2-methyl-propionitrile

: 120511-91-3
α,α,α',α'-tetramethyl-5-chloromethyl-1,3-benzene diacetonitrile

Guidance literature:: With thionyl chloride; In N,N-dimethyl acetamide; at 15 - 35 ℃; for 1.75 - 3.25h;

Reference yield:

: 120511-88-8
2-[3-(cyano-dimethyl-methyl)-5-hydroxymethyl-phenyl]-2-methyl-propionitrile

: 13578-51-3
1-(4-toluenesulfonyl)-1H-1,2,4-triazole

: 120511-73-1
anastrozol

Guidance literature:: 2-[3-(cyano-dimethyl-methyl)-5-hydroxymethyl-phenyl]-2-methyl-propionitrile; With sodium hydride; In tetrahydrofuran; at 70 ℃; for 0.5h;

1-(4-toluenesulfonyl)-1H-1,2,4-triazole; In ISOPROPYLAMIDE; at 20 ℃; for 0.333333h; Product distribution / selectivity;