ChemicalBook--->CAS DataBase List--->39687-95-1

39687-95-1

39687-95-1 Structure

39687-95-1 Structure
IdentificationMore
[Name]

METHYL ISOCYANOACETATE
[CAS]

39687-95-1
[Synonyms]

ISOCYANOACETIC ACID METHYL ESTER
METHYL ISOCYANOACETATE
METHYL ISOCYANOACETATE, TECH., 95%
Methyl isocyanoformate
Methyl isocyanoacetate, technical grade
Methyl isocyanoacetate, 95%, tech.
(2-Oxo-2-methoxyethyl) isocyanide
2-Isocyanoacetic acid methyl ester
2-Oxo-2-methoxyethyl isocyanide
Methyl 2-isocyanoacetate
[EINECS(EC#)]

254-593-8
[Molecular Formula]

C4H5NO2
[MDL Number]

MFCD00000006
[Molecular Weight]

99.09
[MOL File]

39687-95-1.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR YELLOW TO BROWN LIQUID
[Boiling point ]

75-76 °C10 mm Hg(lit.)
[density ]

1.09 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.417(lit.)
[Fp ]

193 °F
[storage temp. ]

−20°C
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
[form ]

Liquid
[color ]

Clear yellow to brown
[Water Solubility ]

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

3537963
[CAS DataBase Reference]

39687-95-1(CAS DataBase Reference)
[Storage Precautions]

Light sensitive;Moisture sensitive
Safety DataBack Directory
[Hazard Codes ]

C
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 2922 8/PG 2
[WGK Germany ]

3
[F ]

8-9-32-13-19
[HazardClass ]

8
[PackingGroup ]

II
[HS Code ]

29291090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

N-FORMYLGLYCINE METHYL ESTER-->Isocyanoacetic acid potassium salt-->Pivaldehyde-->methyl 3-oxopropanoate
[Preparation Products]

5-Phenyl-1,3-oxazole-4-carboxylic acid-->(Z)-2-FORMYLAMINO-3-PHENYL-ACRYLIC ACID METHYL ESTER-->Methyl 5-phenyloxazole-4-carboxylate ,97%-->ROXA-016
Hazard InformationBack Directory
[Chemical Properties]

CLEAR YELLOW TO BROWN LIQUID
[Uses]

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

Methyl isocyanoacetate is used in the copper-catalyzed, diastereoselective synthesis of oxazolines. It is involved in the direct aldol reaction with carbonyl compounds to prepare corresponding oxazoline by using catechol-copper network catalyst. Further, it is also involved in four-component Ugi condensation reaction. It undergoes asymmetric aldol reaction with fluorinated benzaldehyde using gold(I) as a catalyst.
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

METHYL ISOCYANOACETATE(39687-95-1)MS
METHYL ISOCYANOACETATE(39687-95-1)1HNMR
METHYL ISOCYANOACETATE(39687-95-1)IR1
METHYL ISOCYANOACETATE(39687-95-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Methyl isocyanoacetate, tech., 95%(39687-95-1)
[Sigma Aldrich]

39687-95-1(sigmaaldrich)
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