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105909-12-4

2,5-DIMETHYL-4-METHOXYPHENYLACETONITRILE is a phenylacetonitrile derivative, a white crystalline solid with a molecular formula of C12H15NO and a molecular weight of 189.25 g/mol. It is recognized for its role as an intermediate in the synthesis of pharmaceuticals and agrochemicals, and its intriguing biological activities suggest its potential in drug development.

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  • 105909-12-4 Structure

  • Basic information

    1. Product Name: 2,5-DIMETHYL-4-METHOXYPHENYLACETONITRILE
    2. Synonyms: 2,5-DIMETHYL-4-METHOXYPHENYLACETONITRILE;2,5-DIMETHYL-4-CYANO-METHYLANISOLE
    3. CAS NO:105909-12-4
    4. Molecular Formula: C11H13NO
    5. Molecular Weight: 175.23
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 105909-12-4.mol

  • Chemical Properties

    1. Melting Point: 54-56°C
    2. Boiling Point: 299.7°Cat760mmHg
    3. Flash Point: 126.3°C
    4. Appearance: /
    5. Density: 1.017g/cm3
    6. Vapor Pressure: 0.00117mmHg at 25°C
    7. Refractive Index: 1.516
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 2,5-DIMETHYL-4-METHOXYPHENYLACETONITRILE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2,5-DIMETHYL-4-METHOXYPHENYLACETONITRILE(105909-12-4)
    12. EPA Substance Registry System: 2,5-DIMETHYL-4-METHOXYPHENYLACETONITRILE(105909-12-4)

  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 105909-12-4(Hazardous Substances Data)

105909-12-4 Usage

Uses

Used in Pharmaceutical Industry:
2,5-DIMETHYL-4-METHOXYPHENYLACETONITRILE is used as a chemical intermediate for the synthesis of various pharmaceuticals, contributing to the development of new medications due to its unique structural properties.
Used in Agrochemical Industry:
In the agrochemical sector, 2,5-DIMETHYL-4-METHOXYPHENYLACETONITRILE serves as an intermediate in the production of agrochemicals, potentially enhancing crop protection and management strategies.
Used in Drug Development:
2,5-DIMETHYL-4-METHOXYPHENYLACETONITRILE is utilized as a potential candidate in drug development, leveraging its biological activities for the creation of novel therapeutic agents.

Check Digit Verification of cas no

The CAS Registry Mumber 105909-12-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,5,9,0 and 9 respectively; the second part has 2 digits, 1 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 105909-12:
(8*1)+(7*0)+(6*5)+(5*9)+(4*0)+(3*9)+(2*1)+(1*2)=114
114 % 10 = 4
So 105909-12-4 is a valid CAS Registry Number.
InChI:InChI=1/C11H13NO/c1-8-7-11(13-3)9(2)6-10(8)4-5-12/h6-7H,4H2,1-3H3

105909-12-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(4-methoxy-2,5-dimethylphenyl)acetonitrile

1.2 Other means of identification

Product number -
Other names 2,5-Dimethyl-4-methoxyphenylacetonitrile

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:105909-12-4 SDS

105909-12-4Relevant articles and documents

8-(4-Methoxyphenyl)pyrazolo[1,5-a]-1,3,5-triazines: Selective and centrally active corticotropin-releasing factor receptor-1 (CRF1) antagonists

Gilligan, Paul J.,He, Liqi,Clarke, Todd,Tivitmahaisoon, Parcharee,Lelas, Snjezana,Li, Yu-Wen,Heman, Karen,Fitzgerald, Lawrence,Miller, Keith,Zhang, Ge,Marshall, Anne,Krause, Carol,McElroy, John,Ward, Kathyrn,Shen, Helen,Wong, Harvey,Grossman, Scott,Nemeth, Gregory,Zaczek, Robert,Arneric, Stephen P.,Hartig, Paul,Robertson, David W.,Trainor, George

scheme or table, p. 3073 - 3083 (2010/01/16)

This report describes the syntheses and structure-activity relationships of 8-(4-methoxyphenyl)pyrazolo-[1,5-a]-1,3,5-triazine corticotropin releasing factor receptor-1 (CRF1) receptor antagonists. CRF1 receptor antagonists may be potential anxiolytic or antidepressant drugs. This research culminated in the discovery of analogue 12-3, which is a potent, selective CRF1 antagonist (hCRF1 IC50 ) 4.7 ± 2.0 nM) with weak affinity for the CRF-binding protein and biogenic amine receptors. This compound also has a good pharmacokinetic profile in dogs. Analogue 12-3 is orally effective in two rat models of anxiety: the defensive withdrawal (situational anxiety) model and the elevated plus maze test. Analogue 12-3 has been advanced to clinical trials.

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