CAS 39687-95-1

Methyl isocyanoacetate

Description:

Methyl isocyanoacetate is an organic compound characterized by its isocyanate functional group and an ester moiety. It typically appears as a colorless to pale yellow liquid with a distinctive odor. The molecular formula of methyl isocyanoacetate includes carbon, hydrogen, nitrogen, and oxygen, reflecting its structure that combines an isocyanate group (-N=C=O) with an acetate group (-COO-). This compound is known for its reactivity, particularly in nucleophilic addition reactions, making it valuable in organic synthesis, especially in the preparation of various nitrogen-containing compounds. Methyl isocyanoacetate is also used in the production of pharmaceuticals and agrochemicals. It is important to handle this substance with care, as it can be toxic and may cause irritation to the skin, eyes, and respiratory system. Proper safety measures, including the use of personal protective equipment and working in a well-ventilated area, are essential when dealing with this chemical.

Formula: C₄H₅NO₂

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

InChI key: InChIKey=CRXFROMHHBMNAB-UHFFFAOYSA-N

SMILES: C(C[N+]#[C-])(OC)=O

Synonyms:

• Acetic acid, 2-isocyano-, methyl ester
• Acetic acid, isocyano-, methyl ester
• Methyl 2-isocyanoacetate
• Methyl isocyanoforMate
• Methyl α-isocyanoacetate
• methyl N-methylideneglycinate
• Methyl isocyanoacetate

Methyl Isocyanoacetate

CAS: 39687-95-1

Formula: C₄H₅NO₂

Purity: >97.0%(GC)

Color and Shape: Colorless to Yellow to Orange clear liquid

Molecular weight: 99.09

Ref: 3B-M2549

Methyl isocyanoacetate, 95%

CAS: 39687-95-1

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 con

Formula: C₄H₇NO₂

Purity: 95%

Color and Shape: Clear pale yellow to dark brown, liquid

Molecular weight: 101.11

Ref: 02-H31069

Methyl Isocyanoacetate

CAS: 39687-95-1

Formula: C₄H₅NO₂

Purity: 95%

Color and Shape: Liquid

Molecular weight: 99.0880

Ref: IN-DA003S0P

Methyl isocyanoacetate

CAS: 39687-95-1

Methyl isocyanoacetate

Purity: 95%

Molecular weight: 99.09g/mol

Ref: 54-OR54541

methyl 2-isocyanoacetate

CAS: 39687-95-1

Formula: C₄H₅NO₂

Purity: 95.0%

Color and Shape: Liquid

Molecular weight: 99.089

Ref: 10-F358364

Methyl Isocyanoacetate

Controlled Product

CAS: 39687-95-1

Applications Methyl Isocyanoacetate, is used in the Cu-catalyzed, diastereoselective synthesis of oxazolines (O846550).
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Ideguchi, T., et al.: J. American Chem. Soc., 135, 12568 (2013);

Formula: C₄H₅NO₂

Color and Shape: Neat

Molecular weight: 99.09

Ref: TR-M314050