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ChemicalBook--->CAS DataBase List--->2999-46-4

2999-46-4

2999-46-4 Structure

2999-46-4 Structure
IdentificationMore
[Name]

Ethyl isocyanoacetate
[CAS]

2999-46-4
[Synonyms]

BIO-FARMA BF001872
ETHYL ISOCYANOACETATE
HANSA ISN-0528
ISOCYANOACETIC ACID ETHYL ESTER
Ethylisocyanoacetate,98%
Acetic acid, isocyano-, ethyl ester
(2-Oxo-2-ethoxyethyl) isocyanide
2-Oxo-2-ethoxyethyl isocyanide
Ethoxycarbonylmethyl isocyanide
Ethyl 2-isocyanoacetate
[EINECS(EC#)]

221-077-9
[Molecular Formula]

C5H7NO2
[MDL Number]

MFCD00000007
[Molecular Weight]

113.11
[MOL File]

2999-46-4.mol
Chemical PropertiesBack Directory
[Appearance]

Light yellow to brom liquid
[Boiling point ]

194-196 °C (lit.)
[density ]

1.035 g/mL at 25 °C(lit.)
[vapor pressure ]

61.7Pa at 25℃
[refractive index ]

n20/D 1.418(lit.)
[Fp ]

184 °F
[storage temp. ]

2-8°C
[solubility ]

Chloroform, Methanol (Slightly)
[form ]

Liquid
[color ]

Clear amber to dark brown
[Water Solubility ]

Miscible with organic solvents. Slightly miscible with water.
[Sensitive ]

Moisture & Light Sensitive
[BRN ]

3588613
[Exposure limits]

NIOSH: IDLH 25 mg/m3
[LogP]

0.91 at 25℃
[CAS DataBase Reference]

2999-46-4(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R20/22:Harmful by inhalation and if swallowed .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
[RIDADR ]

UN 2810 6.1/PG 3
[WGK Germany ]

3
[F ]

8-9-21
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29299090
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

5-PHENYL-1,3-OXAZOLE-4-CARBONYL CHLORIDE-->ETHYL3-METHYL-2-INDOLECARBOXYLATE-->Diethyl 1H-pyrrole-2,4-dicarboxylate-->ETHYL ISOTHIOCYANATOACETATE-->ethyl 4-formyl-1H-pyrrole-2-carboxylate-->ETHYL 5-(3-FLUOROPHENYL)-1,3-OXAZOLE-4-CARBOXYLATE-->1-m-tolyl-1H-1,2,4-triazole-3-carboxylic acid-->ETHYL 2-PHENYL-1-INDOLIZINECARBOXYLATE-->Isocyanoacetic acid potassium salt-->Ethyl 5-(diethoxyMethyl)-1H-iMidazole-4-carboxylate
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Ethyl isocyanoacetate(2999-46-4).msds
Hazard InformationBack Directory
[Chemical Properties]

Light yellow to brom liquid
[Uses]

Ethyl Isocyanoacetate, is a cyclization synthon used to prepare pyrroles, oxazolines, benzodiazepines, oxazoles and imidazoles. Ethyl isocyanoacetate can be used to prepare pyrroles,1,2 oxazolines, benzodiazepines, oxazoles and imidazoles.
[Preparation]

synthesis of ethyl isocyanoacetate
A solution containing N-formyl glycine ethyl ester (1, 1.31 g, 10 mmol), DIPEA (2.62 g, 20 mmol) and DMAP (0.45 g, 3 mmol) in dry DCM (10 mL) was loaded in a sample loop and combined with a second stream containing triphosgene (2, 0.98 g, 3.3 mmol) also dissolved in dry DCM (10 mL) at individual channel flow rates of 0.5 mL/min. The combined stream was directed into two linked 10 mL FEP reactor vessels to achieve a 20 minutes residence time at ambient temperature. The output was collect and the solvent was carefully evaporated to 80% of its total volume. The crude material was filtered through silica (5 g) and washed with DCM (2 × 10 mL) to obtain the salt-free product. The desired product 3 was obtained as dark yellow oil after evaporation of the organic phase (1.03 g, 91 % isolated yield, >97% purity by 1H NMR).
[General Description]

Material may darken upon storage
Spectrum DetailBack Directory
[Spectrum Detail]

Ethyl isocyanoacetate(2999-46-4)MS
Ethyl isocyanoacetate(2999-46-4)1HNMR
Ethyl isocyanoacetate(2999-46-4)13CNMR
Ethyl isocyanoacetate(2999-46-4)IR1
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Ethyl isocyanoacetate, 97%(2999-46-4)
[Alfa Aesar]

Ethyl isocyanoacetate, 98%(2999-46-4)
[Sigma Aldrich]

2999-46-4(sigmaaldrich)
[TCI AMERICA]

Ethyl Isocyanoacetate,>95.0%(GC)(2999-46-4)
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