ChemicalBook--->CAS DataBase List--->53064-79-2

53064-79-2

53064-79-2 Structure

53064-79-2 Structure
IdentificationMore
[Name]

Iodomethyl pivalate
[CAS]

53064-79-2
[Synonyms]

1-IODO-4-METHYLBENZENE
4-IODOTOLUENE
AURORA KA-7367
IODOMETHYL PIVALATE
IODOTOLUENE(4-)
P-IODOTOLUENE
[EINECS(EC#)]

210-841-7
[Molecular Formula]

C6H11IO2
[MDL Number]

MFCD00001059
[Molecular Weight]

242.05
[MOL File]

53064-79-2.mol
Chemical PropertiesBack Directory
[Melting point ]

33-35 °C(lit.)
[Boiling point ]

211.5 °C(lit.)
[density ]

1.614±0.06 g/cm3(Predicted)
[refractive index ]

1.4830 to 1.4870
[Fp ]

194 °F
[storage temp. ]

Refrigerator, under inert atmosphere
[solubility ]

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

Oil
[color ]

Yellow
[Sensitive ]

Light, Air and Heat Sensitive
[InChI]

InChI=1S/C6H11IO2/c1-6(2,3)5(8)9-4-7/h4H2,1-3H3
[InChIKey]

PELJISAVHGXLAL-UHFFFAOYSA-N
[SMILES]

C(OCI)(=O)C(C)(C)C
[CAS DataBase Reference]

53064-79-2(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Corrosion (GHS05)
GHS07,GHS05
[Signal word ]

Danger
[Hazard statements ]

H315-H318-H335
[Precautionary statements ]

P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
[RIDADR ]

UN 3265 8/PG III
[WGK Germany ]

3
[HS Code ]

2915.90.5050
[HazardClass ]

8
[PackingGroup ]

III
Hazard InformationBack Directory
[Chemical Properties]

Pale Yellow Liquid
[Uses]

Iodomethyl pivalate can be used as reagent used for the addition of pivaloyl group.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 48, p. 5280, 1983 DOI: 10.1021/jo00174a024
[Synthesis]

Iodomethyl pivalate is synthesised using chloromethyl pivalate as a raw material by chemical reaction. The specific synthesis steps are as follows:
Three bottles were added 10.0 g of chloromethyl pivalate, Ethyl acetate 30 mL, 11.6 g of sodium iodide and 3.6 g of calcium chloride, After heating to 78 ° C for 6 h, Cooling to 0 ,Then washed with 5% sodium thiosulfate to colorless, Dried over anhydrous magnesium sulfate, Concentrated under reduced pressure. 16 g of a yellow liquid. Iodomethyl pivalate was obtained. The reaction molar yield was 94% and GC: 98%.
Iodomethyl pivalate synthesis
Spectrum DetailBack Directory
[Spectrum Detail]

Iodomethyl pivalate(53064-79-2)1HNMR
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