5-(Hydroxymethyl)-alpha,alpha,alpha',alpha'-tetramethyl-1,3-benzenediacetonitrile

CAS NO.：120511-88-8
Empirical Formula: C15H18N2O
Molecular Weight: 242.32
MDL number: MFCD16619241
SAFETY DATA SHEET (SDS)
Update Date: 2023-12-27 16:49:21

What is 5-(Hydroxymethyl)-alpha,alpha,alpha',alpha'-tetramethyl-1,3-benzenediacetonitrile?

The Uses of 5-(Hydroxymethyl)-alpha,alpha,alpha',alpha'-tetramethyl-1,3-benzenediacetonitrile

2-[3-(Cyanodimethylmethyl)-5-hydroxymethylphenyl]-2-methylpropionitrile (Anastrozole EP Impurity E ) is an impurity of Anastrozole (A637425), an aromatase inhibitor which functions as an antineoplastic (1,2). Anastrozole is used in post-menopausal women with advanced breast cancer.

Definition

ChEBI: 2-[3-(2-cyanopropan-2-yl)-5-(hydroxymethyl)phenyl]-2-methylpropanenitrile is an alkylbenzene.

Properties of 5-(Hydroxymethyl)-alpha,alpha,alpha',alpha'-tetramethyl-1,3-benzenediacetonitrile

Melting point:	150-160℃
Boiling point:	382.3±37.0 °C(Predicted)
Density	1.084
solubility	Chloroform (Slightly), Methanol (Slightly)
pka	14.34±0.10(Predicted)
form	Solid
color	White to Off-White
InChI	InChI=1S/C15H18N2O/c1-14(2,9-16)12-5-11(8-18)6-13(7-12)15(3,4)10-17/h5-7,18H,8H2,1-4H3

Safety information for 5-(Hydroxymethyl)-alpha,alpha,alpha',alpha'-tetramethyl-1,3-benzenediacetonitrile

Computed Descriptors for 5-(Hydroxymethyl)-alpha,alpha,alpha',alpha'-tetramethyl-1,3-benzenediacetonitrile

InChIKey	PLEAQICJSGOGID-UHFFFAOYSA-N
SMILES	C1(C(C)(C)C#N)=CC(CO)=CC(C(C)(C)C#N)=C1

New Products

Tert-butyl bis(2-chloroethyl)carbamate (S)-3-Aminobutanenitrile hydrochloride N-Boc-D-alaninol N-BOC-D/L-ALANINOL 3-(2,4-Dimethoxybenzyl)dihydropyrimidine-2,4(1H,3H)-dione 7-Bromo-1H-indazole N-octanoyl benzotriazole 3,4-Dibenzyloxybenzaldehyde 4-Hydrazinobenzoic acid Electrolytic Iron Powder Fmoc-Val-Cit-PAB 1,1’-CARBONYLDIIMIDAZOLE R-2-BENZYLOXY PROPIONIC ACID 4-HYDROXY BENZYL ALCOHOL 1,1’-CARBONYLDI (1,2-4 TRIAZOLE) S-2-CHLORO PROPIONIC ACID (2-Hydroxyphenyl)acetonitrile 4-Bromopyrazole 5-BROMO-2CYANO PYRIDINE 5,6-Dimethoxyindanone 5-broMo-2-chloro-N-cyclopentylpyriMidin-4-aMine 1-(4-Methylphenylsulfonyl)-1H-1,2,3-benzotriazole 1-(2-Chlorobenzyl)-4-nitro-1H-pyrazole 1-(2-Nitrophenyl)-4-phenylpiperazine

Related products of tetrahydrofuran

α,α,α’,α’-Tetramethyl-5-(dibromomethyl)-1,3-benzenediacetonitrile

Anastrozole IMpurity (alfa1 , alfa1, alfa3, alfa3-TetraMethyl-5-(1H-1,2,4-triazol-1-ylMethyl)-1,3-BenzenediacetaMide)

5-Methyl-1,3-benzenediacetonitrile

Anastrozole IMpurity (3-(1-Cyano-1-Methylethyl)-alfa,alfa-diMethyl-5-(1H-,1,2,4-triazole-1-ylMethyl)-benzeneacetic acid)

Anastrozole

p-Toluenesulfonic acid monohydrate

Anastrozole IMpurity (3-(1-Cyano-1-Methylethyl)-alfa,alfa-diMethyl-5-(1H-,1,2,4-triazole-1-ylMethyl)-benzeneacetaMide)

Anastrozole iMpurity