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

ALUMINIUM IODIDE 100 GM BUFFER CAPSULE PH 7.0 - 10 CAP BUFFER SOLUTION PH 9.5 (BORATE) EZEE BLUE GEL STAINER BORAX CARMINE (GRENACHERS ALCOHOLIC) POTASSIUM IODATE - IODIDE SOLN 0.1 N Dabigatran Acyl-O3-D-Glucuronide Trifluoroacetic Acid Salt Isofolic Acid Dabigatran 2-O-acylglucuronide metabolite Dabigatran Acyl-?-D- glucuronide Trifluroacetic Acid Erythromycin EP Impurity A Desloratidine Related Compound A

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