T76201
Trimethylene oxide
97%
Synonym(s):
1,3-Epoxypropane, 1,3-Propylene oxide, Cyclooxabutane, Oxacyclobutane, Oxetane
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About This Item
Empirical Formula (Hill Notation):
C3H6O
CAS Number:
Molecular Weight:
58.08
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
207-964-3
Beilstein/REAXYS Number:
102382
MDL number:
Assay:
97%
InChI
1S/C3H6O/c1-2-4-3-1/h1-3H2
InChI key
AHHWIHXENZJRFG-UHFFFAOYSA-N
SMILES string
C1COC1
vapor pressure
5.09 psi ( 20 °C)
assay
97%
refractive index
n20/D 1.388-1.396
Quality Level
bp
50 °C (lit.)
density
0.893 g/mL at 25 °C (lit.)
storage temp.
2-8°C
Application
- Trimethylene oxide is a strained cyclic ether which can be used to replace carbonyl / gem-dimethyl groups during molecular modelling of bioactive molecules.
- It can be incorporated in various bioactive molecule and drug substances for its improved physicochemical properties, via novel C-H activation methods.
- Trimethylene oxide can also be used in the synthesis of poly(trimethylene oxide) and related polymer electrolytes.
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Flam. Liq. 2
Storage Class
3 - Flammable liquids
wgk
WGK 1
flash_point_f
-4.0 °F - closed cup
flash_point_c
-20 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves
Regulatory Information
危险化学品
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Role of polar side chains in Li+ coordination and transport properties of polyoxetane-based polymer electrolytes.
Sai R, et al.
Physical Chemistry Chemical Physics, 19(7), 5185-5194 (2017)
Synthesis and characterization of high molecular weight poly (trimethylene oxide).
Qureshi MY and Ochel M
Eur. Polymer J., 32(6), 691-693 (1996)
Oxetanes: recent advances in synthesis, reactivity, and medicinal chemistry.
Bull JA, et al.
Chemical Reviews, 116(19), 12150-12233 (2016)
Cross-linked poly (oxetane) matrix for polymer electrolyte containing lithium ions.
Tsutsumi H, et al.
Solid State Ionics, 262, 761-764 (2014)
Dong-Dong Wu et al.
Organic & biomolecular chemistry, 10(18), 3626-3635 (2012-04-13)
Photoinduced reactions of isatin and N-methyl-1,3,4-isoquinolinetrione with bicycloalkylidenes such as bicyclopropylidene, cyclopropylidenecyclobutane, cyclopropylidenecyclohexane and bicyclohexylidene were investigated. The reactions gave spirooxetanes as the major products derived from the [2 + 2] photocycloaddition pathway via 1,4-biradical recombination. Unusual products including the
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