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Merck
CN

113360

3,4,5-Trimethoxyphenylacetonitrile

97%

Synonym(s):

3,4,5-Trimethoxybenzyl cyanide

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About This Item

Linear Formula:
(CH3O)3C6H2CH2CN
CAS Number:
13338-63-1
Molecular Weight:
207.23
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24846877
EC Number:
236-388-5
Beilstein/REAXYS Number:
2214548
MDL number:
MFCD00001912

Key Documents

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Product Name

3,4,5-Trimethoxyphenylacetonitrile, 97%

InChI key

ACFJNTXCEQCDBX-UHFFFAOYSA-N

InChI

1S/C11H13NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4H2,1-3H3

SMILES string

COc1cc(CC#N)cc(OC)c1OC

assay

97%

form

solid

mp

77-79 °C (lit.)

Quality Level

100

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Application

3,4,5-Trimethoxyphenylacetonitrile is used as an internal standard during the determination of vancomycin in serum. The method used involved a direct and rapid solvent precipitation of protein.

General description

3,4,5-Trimethoxyphenylacetonitrile is synthesized by the condensation of 3 : 4 : 5-trimethoxybenzaldehyde with hippuric acid.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
STBK4648
STBJ9678
STBJ6143
STBD9148V
S24549

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A F Rosenthal et al.
Clinical chemistry, 32(6), 1016-1019 (1986-06-01)
We simplified determination of vancomycin in serum by using a direct and rapid solvent precipitation of protein and by using a simple organic compound as internal standard. Reproductibility of the vancomycin retention time was improved by modifying the mobile phase.
XXII.?Synthetical experiments in the isoflavone group.Part IV. A synthesis of 2-methylirigenol.
Baker W and Robinson R.
Journal of the Chemical Society, 152-161 (1929)

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