Methyl 4,4-dimethyl-3-oxopentanoate

Name: Methyl 4,4-dimethyl-3-oxopentanoate
Brand: ALDRICH
Price: 714 DKK

99%

Synonym(s):

Methyl pivaloylacetate

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10 G

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About This Item

Linear Formula:

(CH₃)₃CCOCH₂CO₂CH₃

CAS Number:

55107-14-7

Molecular Weight:

158.19

NACRES:

NA.22

PubChem Substance ID:

24855877

UNSPSC Code:

12352100

EC Number:

259-481-2

MDL number:

MFCD00008847

Key Documents

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Product Name

Methyl 4,4-dimethyl-3-oxopentanoate, 99%

InChI key

XTXCFTMJPRXBBC-UHFFFAOYSA-N

InChI

1S/C8H14O3/c1-8(2,3)6(9)5-7(10)11-4/h5H2,1-4H3

SMILES string

COC(=O)CC(=O)C(C)(C)C

vapor pressure

0.4 mmHg ( 20 °C)

assay

99%

refractive index

n20/D 1.487 (lit.)

bp

67-70 °C/13 mmHg (lit.)

density

0.99 g/mL at 25 °C (lit.)

functional group

ester
ketone

Quality Level

100

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Chemical Building Blocks

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1 of 4

This Item	752002	332828	W334308
Sigma-Aldrich 262404 Methyl 4,4-dimethyl-3-oxopentanoate	Sigma-Aldrich 752002 Ethyl methyl carbonate	Sigma-Aldrich 332828 2-Butanone oxime	Sigma-Aldrich W334308 Ethyl 3-(methylthio)propionate
assay 99%	assay 98%	assay 99%	assay ≥99%
Quality Level 100	Quality Level 100	Quality Level 100	Quality Level 400
density 0.99 g/mL at 25 °C (lit.)	density 1.006 g/mL at 25 °C	density 0.924 g/mL at 25 °C (lit.)	density 1.032 g/mL at 25 °C (lit.)
bp 67-70 °C/13 mmHg (lit.)	bp -	bp 59-60 °C/15 mmHg (lit.)	bp 197 °C (lit.)
refractive index n20/D 1.487 (lit.)	refractive index n20/D 1.378	refractive index n20/D 1.442 (lit.)	refractive index n20/D 1.46 (lit.)
vapor pressure 0.4 mmHg ( 20 °C)	vapor pressure -	vapor pressure <8 mmHg ( 20 °C)	vapor pressure -

Application

Methyl 4,4-dimethyl-3-oxopentanoate has been used:

as substarte during InCl₃-catalyzed syntheses of some new dibenzo(d,f)(1,3)dioxepines and 12H-dibenzo(d,g)(1,3)dioxocin derivatives[1]
in the preparation of neat α-oxoketene, carbomethoxypivaloylketene[2]

pictograms

GHS07

signalword

Warning

hcodes

H315,H319,H335

pcodes

P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

170.6 °F - closed cup

flash_point_c

77 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Indium (III) chloride catalyzed one step synthesis of some new dibenzo(d,f)(1,3)dioxepines and 12H-dibenzo(d,g)(1,3)dioxocin derivatives.

Tocco G, et al.

Tetrahedron Letters, 45(37), 6909-6913 (2007)

Neat carbomethoxypivaloylketene-preparation and chemical reactivity.

Stadler A, et al.

Tetrahedron, 57(31), 6757-6763 (2001)

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