262404
Methyl 4,4-dimethyl-3-oxopentanoate
99%
Synonym(s):
Methyl pivaloylacetate
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About This Item
Linear Formula:
(CH3)3CCOCH2CO2CH3
CAS Number:
Molecular Weight:
158.19
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
259-481-2
MDL number:
Assay:
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
Related Categories
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
- in the preparation of neat α-oxoketene, carbomethoxypivaloylketene
signalword
Warning
hcodes
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
Regulatory Information
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Neat carbomethoxypivaloylketene-preparation and chemical reactivity.
Stadler A, et al.
Tetrahedron, 57(31), 6757-6763 (2001)
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)
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