METHYL ISOCYANOACETATE

CAS No.：39687-95-1

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This product is a chemical product/pharmaceutical intermediate. It is not a drug, an active pharmaceutical ingredient (API), or a pharmaceutical-grade material. It has not been granted a drug approval number or a Chemical Drug Substance Approval Notice, has not passed drug-related review and approval, and is not manufactured, tested, or released in accordance with pharmaceutical GMP.
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METHYL ISOCYANOACETATE Basic information

Product Name:	METHYL ISOCYANOACETATE
Synonyms:	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;Methyl isocyanoacetate, tech., 95% 5GR;Acetic acid, 2-isocyano-, Methyl ester
CAS:	39687-95-1
MF:	C4H5NO2
MW:	99.09
EINECS:	254-593-8
Product Categories:	straight chain compounds;Naphthyridine,Quinoline;Isocyanides;Nitrogen Compounds;Organic Building Blocks;Building Blocks;pharmacetical;Chemical Synthesis;Nitrogen Compounds;Organic Building Blocks
Mol File:	39687-95-1.mol

METHYL ISOCYANOACETATE Chemical Properties

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.	2-8°C
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)

Safety Information

Hazard Codes	C
Risk Statements	20/21/22-34
Safety Statements	26-36/37/39-45
RIDADR	UN 2922 8/PG 2
WGK Germany	3
F	8-9-32-13-19
HazardClass	8
PackingGroup	II
HS Code	29291090

MSDS Information

Provider	Language
SigmaAldrich	English
ACROS	English

METHYL ISOCYANOACETATE Usage And Synthesis

Chemical Properties	CLEAR YELLOW TO BROWN LIQUID
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.
Uses	Methyl isocyanoacetate has been used in the copper-catalyzed, diastereoselective synthesis of oxazolines.
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.

METHYL ISOCYANOACETATE Preparation Products And Raw materials

Raw materials	N-FORMYLGLYCINE METHYL ESTER-->Isocyanoacetic acid potassium salt-->Pivaldehyde-->methyl 3-oxopropanoate
Preparation Products	5-Phenyl-1,3-oxazole-4-carboxylic acid

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