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(3,4-Dimethoxyphenyl)acetonitrile

CAS 93-17-4(CH3O)2C6H3CH2CNChemical Synthesis

(3,4-Dimethoxyphenyl)acetonitrile (CAS 93-17-4) is a chemical compound with the linear formula (CH3O)2C6H3CH2CN and a molecular weight of 177.20 g/mol. This nitrile derivative is primarily utilised as a building block in organic synthesis. Its chemical structure lends itself to diverse applications, including the preparation of more complex molecules for research and development within the biochemical and chemical synthesis sectors.

IUPAC
(3,4-Dimethoxyphenyl)acetonitrile,3,4-Dimethoxybenzylcyanide,Homoveratronitrile
Synonyms
(CH3O)2C6H3CH2CN3,4-DimethoxybenzylcyanideHomoveratronitrile
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(3,4-Dimethoxyphenyl)acetonitrile ((CH3O)2C6H3CH2CN) — chemical structure, CAS 93-17-4; Chemistry, fine chemical supplied by Tech Serve Solutions
Biochemicals and ReagentsBuilding BlocksC10 to C27Chemical SynthesisCyanides/NitrilesFluorescent ProbesLabelsParticles and StainsNitrogen CompoundsOrganic Building Blocks
01 /Applications

Synthesis of Substituted Acrylonitriles

(3,4-Dimethoxyphenyl)acetonitrile has been employed as a starting material in the synthesis of novel compounds, such as (Z)-3-(benzo[b]thiophen-2-yl)-2-(3,4-dimethoxyphenyl)acrylonitrile, contributing to the development of new chemical entities.

Preparation of Diterpene Derivatives

This compound serves as a precursor in synthetic pathways for natural product analogues, including the preparation of modified diterpenes like (±) nimbidiol, involving complex reaction mechanisms such as sulfenium ion promoted polyene cyclization.

Organic Synthesis Building Block

As a versatile organic building block, (3,4-Dimethoxyphenyl)acetonitrile is used in various chemical synthesis applications, offering a reactive nitrile group and dimethoxyphenyl moiety for further functionalisation.

02 /Properties
Molecular weight177.20
Linear formula(CH3O)2C6H3CH2CN
Assay98%
Boiling point171-178 °C/10 mmHg(lit.)
Solubilitymethanol: soluble0.1 g/mL, clear
Application(3,4-Dimethoxyphenyl)acetonitrile has been used in the synthesis of (Z)-3-(benzo[b]thiophen-2-yl)-2-(3,4-dimethoxyphenyl)acrylonitrile1. It has also been used in the preparation of modified diterpene (±) nimbidiol which relies on a sulfenium ion promoted polyene cyclization2.
Melting point62-63.5 °C(lit.)
03 /Safety & handling
GHS hazard pictogram: Harmful / irritant (GHS07)
Harmful / irritant
Warning

Hazard statements

  • H302Harmful if swallowed
Protective equipmentdust mask type N95 (US), Eyeshields, Gloves
Flash point250 °C / 482 °F
Water hazard class (WGK, DE)3
Hazard codes (EU)Xn
Risk statements (R)22
Safety statements (S)36/37

Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.

04 /Identifiers & registry
CAS number
93-17-4
MDL number
MFCD00001911
PubChem substance
24847718
Beilstein registry
1956100
05 /Additional specifications
Fluorescenceλex 430 nm; λem 511 nm (pH 7.1)
06 /Quality & supply

Documentation

Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.

Supply & logistics

Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.

07 /Frequently asked questions

What is (3,4-Dimethoxyphenyl)acetonitrile used for?

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(3,4-Dimethoxyphenyl)acetonitrile is used as a building block in organic synthesis, including the preparation of substituted acrylonitriles and modified diterpenes.

What is the CAS number and linear formula for (3,4-Dimethoxyphenyl)acetonitrile?

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The CAS number is 93-17-4 and the linear formula is (CH3O)2C6H3CH2CN.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies (3,4-Dimethoxyphenyl)acetonitrile with a purity of 98%. This is a technical/research grade material, and TSS does not represent it as USP, BP, EP, or any other pharmacopoeia grade.

How should (3,4-Dimethoxyphenyl)acetonitrile be handled safely?

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As per the safety data, (3,4-Dimethoxyphenyl)acetonitrile is harmful if swallowed (H302). Appropriate personal protective equipment including a dust mask (type N95 US), eyeshields, and gloves should be used during handling. Ensure adequate ventilation.

How is (3,4-Dimethoxyphenyl)acetonitrile packed and exported?

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Tech Serve Solutions, as a specialist global supplier and exporter, packages and exports chemicals in compliance with relevant shipping regulations to ensure safe transit worldwide.

How can I request a sample or quote for (3,4-Dimethoxyphenyl)acetonitrile?

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To request a sample or a quotation for (3,4-Dimethoxyphenyl)acetonitrile, please contact the Tech Serve Solutions sales team through the website or by telephone.

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