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(4-Isopropoxyphenyl)acetonitrile, with the CAS number 941217-48-8, is a white to beige solid compound characterized by its molecular formula C11H13NO. It is a nitrile, which means it contains a carbon triple-bonded to a nitrogen atom, and is also an acetonitrile derivative, featuring an acetonitrile functional group. The presence of phenyl and isopropoxy groups in its structure makes it a versatile compound for use in organic reactions, particularly for the synthesis of complex molecules with medicinal or agricultural applications. However, it is important to note that (4-Isopropoxyphenyl)acetonitrile has moderate toxicity, and therefore, it should be handled with caution.

50690-53-4

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50690-53-4 Usage

Uses

Used in Pharmaceutical Industry:
(4-Isopropoxyphenyl)acetonitrile is used as an intermediate in the synthesis of pharmaceuticals for its ability to participate in organic reactions that lead to the creation of complex molecules with medicinal purposes.
Used in Agrochemical Industry:
(4-IsoPROPOXYPHENYL)ACETONITRILE is used as an intermediate in the synthesis of agrochemicals for its capacity to engage in organic reactions that result in the formation of complex molecules with agricultural applications.

Check Digit Verification of cas no

The CAS Registry Mumber 50690-53-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,0,6,9 and 0 respectively; the second part has 2 digits, 5 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 50690-53:
(7*5)+(6*0)+(5*6)+(4*9)+(3*0)+(2*5)+(1*3)=114
114 % 10 = 4
So 50690-53-4 is a valid CAS Registry Number.

50690-53-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(4-propan-2-yloxyphenyl)acetonitrile

1.2 Other means of identification

Product number -
Other names p-Isopropyoxy-benzylcyanid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:50690-53-4 SDS

50690-53-4Relevant academic research and scientific papers

Synthesis of lamellarin alkaloids using orthoester-masked α-keto acids

Shirley, Harry J.,Koyioni, Maria,Muncan, Filip,Donohoe, Timothy J.

, p. 4334 - 4338 (2019/04/17)

Pyruvic acid and other α-keto acids are frequently encountered as intermediates in metabolic pathways, yet their application in total synthesis has met with limited success. In this work, we present a bioinspired strategy that utilizes highly functionaliz

Structure-guided optimization of estrogen receptor binding affinity and antagonist potency of pyrazolopyrimidines with basic side chains

Zhou, Hai-Bing,Sheng, Shubin,Compton, Dennis R.,Kim, Younchang,Joachimiak, Andrzej,Sharma, Sanjay,Carlson, Kathryn E.,Katzenellenbogen, Benita S.,Nettles, Kendall W.,Greene, Geoffrey L.,Katzenellenbogen, John A.

, p. 399 - 403 (2007/10/03)

2,3-Diarylpyrazolo[1,5-α]pyrimidines are estrogen receptor (ER) antagonists of modest potency that we have described previously. Guided by the crystal structure of an ER-ligand complex that we have obtained with one of these compounds, we prepared analogs that contain a basic side chain at the 2- or 3-aryl group and quickly found one that, according to the structure-based prediction, shows an increase in binding affinity and antagonist potency and a loss of residual agonist activity.

Design of Inhibitors from the Three-Dimensional Structure of Alcohol Dehydrogenase. Chemical Synthesis and Enzymatic Properties

Freudenreich, Charles,Samama, Jean-Pierre,Biellmann, Jean-Francois

, p. 3344 - 3353 (2007/10/02)

Inhibitors of liver alcohol dehydrogenase were designed from the three-dimensional structure of the enzyme.The ligand to the catalytic zinc ion is an amide group or, better, a formamide group.With the latter function, a hydrogen bond between the NH group and the hydroxyl group of Ser-48 may be formed.The hydrophobic substrate binding site brings structural restraints. α-ω bifunctional molecules show good inhibitory properties possibly due to the interactions with polar residues at the entrance of the substrate binding site.

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