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Merck
CN

159581

3-Cyanopropionaldehyde dimethyl acetal

98%

Synonym(s):

4,4-Dimethoxybutyronitrile

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About This Item

Linear Formula:
NCCH2CH2CH(OCH3)2
CAS Number:
14618-78-1
Molecular Weight:
129.16
UNSPSC Code:
12352100
PubChem Substance ID:
24849824
EC Number:
238-658-8
MDL number:
MFCD00019883

Key Documents

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Product Name

3-Cyanopropionaldehyde dimethyl acetal, 98%

InChI key

XJHNCGVHPLDMRK-UHFFFAOYSA-N

InChI

1S/C6H11NO2/c1-8-6(9-2)4-3-5-7/h6H,3-4H2,1-2H3

SMILES string

COC(CCC#N)OC

assay

98%

form

liquid

refractive index

n20/D 1.419 (lit.)

bp

90-91 °C/14 mmHg (lit.)

density

0.992 g/mL at 25 °C (lit.)

Quality Level

100

Application

3-Cyanopropionaldehyde dimethyl acetal was used in the synthesis of 7-methyl-2-naphthalenecarbonitrile, precursor of the anticoagulant agents YM-60828 or YM-96765.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

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

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

192.2 °F - closed cup

flash_point_c

89 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
S34575
02913TD
03509TC
12308BG
10022DG

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Hiroyuki Koshio et al.
Chemical & pharmaceutical bulletin, 53(4), 448-450 (2005-04-02)
A practical and cost-effective procedure has been developed for the synthesis of 7-methyl-2-naphthalenecarbonitrile, the precursor of the anticoagulant agents YM-60828 or YM-96765. This new route generates the key intermediate in only two steps from readily available 3-cyanopropionaldehyde dimethyl acetal and

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