(3,4-Dimethoxyphenyl)acetonitrile

Name: (3,4-Dimethoxyphenyl)acetonitrile
Brand: ALDRICH
Price: 114 USD

98%

Synonym(s):

Homoveratronitrile, (3,4-Dimethoxyphenyl)acetonitrile, 3,4-Dimethoxybenzylcyanide

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100 G

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About This Item

Linear Formula:

(CH₃O)₂C₆H₃CH₂CN

CAS Number:

93-17-4

Molecular Weight:

177.20

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24847718

EC Number:

202-225-1

Beilstein/REAXYS Number:

1956100

MDL number:

MFCD00001911

Assay:

98%

Form:

solid

Key Documents

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InChI key

ASLSUMISAQDOOB-UHFFFAOYSA-N

InChI

1S/C10H11NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5H2,1-2H3

SMILES string

COc1ccc(CC#N)cc1OC

assay

98%

form

solid

bp

171-178 °C/10 mmHg (lit.)

mp

62-63.5 °C (lit.)

fluorescence

λ_ex 430 nm; λ_em 511 nm (pH 7.1)

functional group

nitrile

Quality Level

100

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Show Differences

1 of 4

This Item	660523	669210	D133000
Sigma-Aldrich 126349 (3,4-Dimethoxyphenyl)acetonitrile	Sigma-Aldrich 660523 3,4-(2,2-Dimethylpropylenedioxy)thiophene	Sigma-Aldrich 669210 3,4-(2′,2′-Diethylpropylene)dioxythiophene	Sigma-Aldrich D133000 3,4-Dimethoxybenzyl alcohol
assay 98%	assay 97%	assay 97%	assay 96%
Quality Level 100	Quality Level 100	Quality Level 100	Quality Level 100
bp 171-178 °C/10 mmHg (lit.)	bp -	bp -	bp 296-297 °C/732 mmHg (lit.)
form solid	form solid	form -	form liquid
mp 62-63.5 °C (lit.)	mp 41-46 °C	mp -	mp -
fluorescence λ_ex 430 nm; λ_em 511 nm (pH 7.1)	fluorescence -	fluorescence -	fluorescence -

Application

(3,4-Dimethoxyphenyl)acetonitrile has been used in the synthesis of (Z)-3-(benzo[b]thiophen-2-yl)-2-(3,4-dimethoxyphenyl)acrylonitrile[1]. It has also been used in the preparation of modified diterpene (±) nimbidiol which relies on a sulfenium ion promoted polyene cyclization[2].

pictograms

GHS07

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk

WGK 1

flash_point_f

482.0 °F - closed cup

flash_point_c

250 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

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(Z)-3-(Benzo[b]thiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)acrylonitrile and (E)-3-(benzo[b]thiophen-2-yl)-2-(3,4-dimethoxyphenyl)acrylonitrile. [corrected].

Vijayakumar N Sonar et al.

Acta crystallographica. Section C, Crystal structure communications, 63(Pt 12), o743-o745 (2007-12-07)

The title compounds, C20H17NO3S, (I), and C19H15NO2S, (II), were prepared by the reaction of benzo[b]thiophene-2-carbaldehyde with (3,4,5-trimethoxyphenyl)acetonitrile and (3,4-dimethoxyphenyl)acetonitrile, respectively, in the presence of methanolic potassium hydroxide. In (I), the C=C bond linking the benzo[b]thiophene and the 3,4,5-trimethoxyphenyl units has

Sulfenium ion promoted polyene cyclizations in natural product synthesis: An efficient biomimetic-like synthesis of (?) nimbidiol.

Harring SR and Livinghouse T.

Tetrahedron Letters, 30(12), 1499-1502 (1989)

[Toxicity of 3,4-dimethoxyphenylacetonitrile].

N S Grodetskaia et al.

Gigiena truda i professional'nye zabolevaniia, (2)(2), 55-55 (1982-02-01)

Synthesis, molecular conformation, vibrational and electronic transition, isometric chemical shift, polarizability and hyperpolarizability analysis of 3-(4-methoxy-phenyl)-2-(4-nitro-phenyl)-acrylonitrile: a combined experimental and theoretical analysis.

Abdullah Mohamed Asiri et al.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 82(1), 444-455 (2011-08-23)

This work presents the synthesis and characterization of a novel compound, 3-(4-methoxy-phenyl)-2-(4-nitro-phenyl)-acrylonitrile (abbreviated as 3-(4MP)-2-(4-NP)-AN, C(16)H(12)N(2)O(3)). The spectroscopic properties of the compound were examined by FT-IR, UV-vis and NMR ((1)H and (13)C) techniques. FT-IR spectrum in solid state was observed

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