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238880

Methyl isocyanoacetate

technical grade, 95%

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About This Item

Linear Formula:
CNCH2COOCH3
CAS Number:
39687-95-1
Molecular Weight:
99.09
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24854350
EC Number:
254-593-8
Beilstein/REAXYS Number:
3537963
MDL number:
MFCD00000006
Assay:
95%
Form:
liquid
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grade

technical grade

Quality Segment

100

assay

95%

form

liquid

refractive index

n20/D 1.417 (lit.)

bp

75-76 °C/10 mmHg (lit.)

density

1.09 g/mL at 25 °C (lit.)

functional group

amine, ester, isonitrile

storage temp.

2-8°C

SMILES string

COC(=O)C[N+]#[C-]

InChI

1S/C4H5NO2/c1-5-3-4(6)7-2/h3H2,2H3

InChI key

CRXFROMHHBMNAB-UHFFFAOYSA-N

General description

Methyl isocyanoacetate undergoes direct aldol reaction with carbonyl compounds in the presence of solid-phase catechol-copper network catalyst to yield corresponding oxazolines. It also participates in four-component Ugi condensation reaction.

Application

Methyl isocyanoacetate has been used in the copper-catalyzed, diastereoselective synthesis of oxazolines.

pictograms

CorrosionExclamation mark
GHS05,GHS07

signalword

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Dam. 1 - Skin Corr. 1B

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk

WGK 3

flash_point_f

183.2 °F - closed cup

flash_point_c

84 °C - closed cup

ppe

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

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