120511-89-9

Basic information

• Product Name: 5-ForMyl-α,α,α',α'-tetraMethyl-1,3-benzenediacetonitrile
• Synonyms: 5-ForMyl-α,α,α',α'-tetraMethyl-1,3-benzenediacetonitrile;2,2'-(5-ForMyl-1,3-phenylene)di(2-Methylpropionitrile);5-ForMyl-α1,α1,α3,α3-tetraMethyl-1,3-benzenediacetonitrile
• CAS NO: 120511-89-9
• Molecular Formula: C₁₅H₁₆N₂O
• Molecular Weight: 240.30034
• Product Categories: Aromatics;Impurities;Intermediates & Fine Chemicals;Pharmaceuticals;Aromatics, Impurities, Pharmaceuticals, Intermediates & Fine Chemicals
• Mol File: 120511-89-9.mol
• Article Data: 3

Chemical Properties

• Appearance: /
• Solubility: Chloroform, Dichloroform, Methanol
• CAS DataBase Reference: 5-ForMyl-α,α,α',α'-tetraMethyl-1,3-benzenediacetonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 5-ForMyl-α,α,α',α'-tetraMethyl-1,3-benzenediacetonitrile(120511-89-9)
• EPA Substance Registry System: 5-ForMyl-α,α,α',α'-tetraMethyl-1,3-benzenediacetonitrile(120511-89-9)

Safety Data

• Hazardous Substances Data: 120511-89-9(Hazardous Substances Data)

Usage

Description

5-ForMyl-α,α,α',α'-tetraMethyl-1,3-benzenediacetonitrile is an organic compound that serves as an intermediate in the synthesis of various pharmaceutical compounds. It is a white solid with specific chemical properties that make it a valuable component in the production of certain drugs.

Uses

Used in Pharmaceutical Industry:
5-ForMyl-α,α,α',α'-tetraMethyl-1,3-benzenediacetonitrile is used as an intermediate in the synthesis of Anastrozole impurity E (T291495). Anastrozole is a medication used to treat breast cancer, and this compound plays a crucial role in the production process, ensuring the development of the final drug product.
As an intermediate in the pharmaceutical industry, 5-ForMyl-α,α,α',α'-tetraMethyl-1,3-benzenediacetonitrile contributes to the development of life-saving medications, specifically in the treatment of breast cancer. Its role in the synthesis of Anastrozole impurity E highlights its importance in the production of effective cancer treatments.

Upstream product

• 871116-81-3 3,5-bis-(cyano-dimethyl-methyl)-benzoic acid methyl ester 
• 872967-71-0 C₁₉H₂₂N₂O₄ 
• 120511-88-8 2-[3-(cyano-dimethyl-methyl)-5-hydroxymethyl-phenyl]-2-methyl-propionitrile 

Downstream Products

• 120511-73-1 anastrozol 
• 120512-17-6 2,2'-[5-(1-hydroxy-1-(3-pyridyl)methyl)-1,3-phenylene]di(2-methylpropiononitrile) 

Relevant articles and documents

A method of synthesis of aromatase inhibitors

The invention discloses a method for synthesizing an aromatase inhibitor anastrozole. A synthesis route comprises the steps: with 3, 5-dimethylbenzoate as a starting material, carrying out bromination, cyanation and methylation to obtain 3, 5-bis (2-cyano-2-yl) benzoate, reducing the intermediate to obtain 3,5-bis (2-cyano-2-yl) benzaldehyde, and carrying out a reductive amination reaction on the generated intermediate and 1.24-triazole to obtain anastrozole. The method has the advantages of easiness in operation, mild reaction conditions, high yield, high product purity and the like, and is suitable for industrial production of anastrozole.

(SUBSTITUTED ARALKYL) HETEROCYCLIC COMPOUNDS

A (substituted-aralkyl)heterocyclic compound of the formula I wherein R1 is an azido, carbamoyl, cyano, formyl, hy-droxy or nitro radical, a 1-6C 1-hydroxyalkyl, alkoxy, alkylcarbamoyl, alkylthio, alkylsulphinyl or alkylsulphonyl radical, a 2-cyanoethyl radical, optionally bearing one to four 1-6C alkyl substituents, or a 2-6C alkanoyl, halogenoalkanoyl, alkanoyloxy, alkanoylamino, dialkylcarbamoyl or alkoxycarbonyl radical; R2 and R3, which may be the same or different, are each a hydrogen atom, a 1-6C alkyl, dueterioalkyl or halogenoalkyl radical, or a phenyl or phenyl(l-6C alkyl) radical, in each of which the phenyl may optionally bear one or more substituents; or R2 and R3, together with the carbon atom to which they are attached, may form a 3- to 6-membered ring; or R1R2R3C- is a 1,1-dicyanoethyl or trifluoromethylsulphonyl radical; R4 is a hydrogen or halogen atom, a cyano or nitro radical or a 1-6C alkyl or halogenoalkyl radical; R5 has any of the values de-fined above for the group RIR2R3C but is not necessarily the same as R1R2R3C, or has any of the values de-fined above for R4 but is not necessarily the same as R4, or is a carbamoyl, 1-pyrrolidinyl-carbonyl, piperidino-carbonyl, morpholinocarbonyl or nitro radical, a 1-6C alkoxy or halogenoalkoxy radical or a 2-6C alkanoyl or alkoxy-carbonyl radical; A is a methylene or ethylene radical optionally bearing one or more substituents selected from deuterium and halogen atoms, carbamoyl, cyano and hydroxy radicals, 1-6C alkyl and alkoxy radicals, and 2-6C alkanoyloxy radicals provided that when A is linked to R through a nitrogen atom thereof, it may not bear a hydroxy, alkoxy or alkanoyloxy sub-stituent on the carbon atom adjacent to such nitrogen atoms; and R6is a lH-l,2,4-triazol-l-yl, 4H-l,2,4-triazol-4-yl, IH-imidazol-1-yl, 5-cyano-lH-imidazol-l-yl, 3-pyridyl or 5-pyrimidinyl radical, or a IH-imidazol-1-yl radical, bearing at the 5-position thereof a 1-6C alkyl substituent which is itself optionally substituted by one or more carbamoyl, cyano, hydroxy or 2-6C alkoxycar-bonyl radicals; and provided that when R2, R3, R4 and R5 are hydrogen, A is a methylene radical and R6 is a 3-pyridyl radical, R1 is not a cyano, hydroxy or hydroxymethyl radical, and when R1 is a hydroxy radical, R3, R4 and R5 are hydrogen, A is a methylene radical and R6 is 3-pyridyl, R2 is not a methyl or a 2-chloro-1-methylethyl radical, and provided that when R1 is a methoxycarbonyl radical, R2, R3, R4 and R5 are hydrogen and A is a methylene radical, Ri is not a IH-imidazol-a1-yl radical; and the pharmaceutically acceptable acid addition salts thereof