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Ethyl isocyanoacetate, 98%

CAS: 2999-46-4 | C5H7NO2 | 113.12 g/mol

$67.60 - $697.30

Chemical Identifiers

CAS 2999-46-4
Molecular Formula C5H7NO2
Molecular Weight (g/mol) 113.12
MDL Number MFCD00000007
InChI Key FPULFENIJDPZBX-UHFFFAOYSA-N
Synonym ethyl isocyanoacetate, isocyanoacetic acid ethyl ester, ethylisocyanoacetate, acetic acid, 2-isocyano-, ethyl ester, acetic acid, isocyano-, ethyl ester, ethyl iso-cyanoacetate, ethyl isocyano-acetate, pubchem2345, ethyl 2-isocyanoacetat
PubChem CID 533707
IUPAC Name ethyl 2-isocyanoacetate
SMILES CCOC(=O)C[N+]#[C-]
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AAL1537903
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Thermo Scientific Chemicals
L1537903
1 g
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AAL1537906
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L1537906
5 g
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AAL1537914
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25 g
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Description

Description

Ethyl isocyanoacetate is used in the syntheses of 7-aza-tetrahydroindoles, oxazolines, benzodiazepines, imidazoles and oxazoles. For example, it is involved in the synthesis of 1H-indole-2-carboxylate by condensing with 2-bromo benzenealdehyde using CuI as a catalyst. It is a precursor used in the preparation of ethyl thiazole-4-carboxylate upon reaction with O-ethyl thioformate.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
Ethyl isocyanoacetate is used in the syntheses of 7-aza-tetrahydroindoles, oxazolines, benzodiazepines, imidazoles and oxazoles. For example, it is involved in the synthesis of 1H-indole-2-carboxylate by condensing with 2-bromo benzenealdehyde using CuI as a catalyst. It is a precursor used in the preparation of ethyl thiazole-4-carboxylate upon reaction with O-ethyl thioformate.

Solubility
Miscible with organic solvents. Slightly miscible with water.

Notes
Store in cool place. Moisture and light sensitive. Keep the container tightly closed in a dry and well-ventilated place. Incompatible with strong oxidizing agents and strong bases.
Specifications

Chemical Identifiers

2999-46-4
113.12
FPULFENIJDPZBX-UHFFFAOYSA-N
533707
CCOC(=O)C[N+]#[C-]
C5H7NO2
MFCD00000007
ethyl isocyanoacetate, isocyanoacetic acid ethyl ester, ethylisocyanoacetate, acetic acid, 2-isocyano-, ethyl ester, acetic acid, isocyano-, ethyl ester, ethyl iso-cyanoacetate, ethyl isocyano-acetate, pubchem2345, ethyl 2-isocyanoacetat
ethyl 2-isocyanoacetate

Specifications

2999-46-4
194°C to 196°C
C5H7NO2
MFCD00000007
UN2810
Light and moisture sensitive
Miscible with organic solvents. Slightly miscible with water.
CCOC(=O)C[N+]#[C-]
113.12
113.12
Ethyl isocyanoacetate
1.035
84°C (183°F)
1.422
1 g
3588613
ethyl isocyanoacetate, isocyanoacetic acid ethyl ester, ethylisocyanoacetate, acetic acid, 2-isocyano-, ethyl ester, acetic acid, isocyano-, ethyl ester, ethyl iso-cyanoacetate, ethyl isocyano-acetate, pubchem2345, ethyl 2-isocyanoacetat
FPULFENIJDPZBX-UHFFFAOYSA-N
ethyl 2-isocyanoacetate
533707
98%
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Safety and Handling

Safety and Handling

GHS H Statement
H331-H227-H302-H312-H315-H319-H335
Toxic if inhaled.
Combustible liquid.
Harmful if swallowed.
Harmful in contact with skin.
Causes skin irritation.
Causes serious eye irritation.
May cause respiratory irritation.

P210-P235-P261-P264b-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P362-P370+P378q-P501c

H227-H302+H312+H332-H315-H319-H335

DOTInformation : Transport Hazard Class: 6.1; Packing Group: III; Proper Shipping Name: TOXIC, LIQUIDS, ORGANIC, N.O.S.

EINECSNumber : 221-077-9

TSCA : No

Recommended Storage : Keep cold

SDS
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RUO – Research Use Only