4-methyloxane-2,6-dione
Product Information
Molecular Formula
C6H8O3
Molecular Weight
128.127
Description
Stability: Moisture Sensitive. Applications: 3-Methylglutaric Anhydride is a reagent used in the synthesis of oxoeicosanoid receptor antagonists which are involved in mediating stimulatory effects on cell types involved in mediating immunity-based inflammatory reactions.
Synonyms
4-methyloxane-2,6-dione; 4-methyloxane-2,6-dione
IUPAC Name
4-methyloxane-2,6-dione
SMILES
CC1CC(=O)OC(=O)C1
InChI
InChI=1S/C6H8O3/c1-4-2-5(7)9-6(8)3-4/h4H,2-3H2,1H3
InChI Key
MGICRVTUCPFQQZ-UHFFFAOYSA-N
Boiling Point
180-182 °C25 mmHg (lit.)
Melting Point
42-46 °C (lit.)
Flash Point
>230 °F
Purity
98 %
Density
1.2072 (rou gh estimate)
Appearance
Off-white solid
Storage
-20 °C Freezer, Under inert atmosphere
Refractive Index
1.4585 (estimate)
LogP
0.48610
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
XLogP3
0.3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
128.047344113 g/mol
Monoisotopic Mass
128.047344113 g/mol
Topological Polar Surface Area
43.4Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
134
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113861395-A | Polyester with acetal group in main chain and preparation method thereof | 2021-10-28 |
| CN-113578190-A | Switch Pickering emulsion with stable low-concentration particles and preparation method thereof | 2021-09-02 |
| CN-112675716-A | UIO-66-NH2Method for preparing high-flux defect-free polyamide membrane by using derivative | 2021-02-01 |
| CN-112961458-A | Tung oil based epoxy flexibilizer and preparation method thereof | 2021-01-26 |
| CN-112111025-A | Cannabidiol cyclodextrin conjugate and preparation method thereof | 2020-09-28 |
| US-2021371731-A1 | Method for making photochromic contact lenses | 2020-06-02 |
| WO-2021245551-A1 | Method for making photochromic contact lenses | 2020-06-02 |
| WO-2021247532-A1 | Flux-compatible epoxy-anhydride adhesive compositions for low-gap underfill applications | 2020-06-01 |
| WO-2021231998-A1 | High-temperature, thermally-insulative laminates including aerogel layers | 2020-05-15 |
| WO-2021232001-A1 | Low-dielectric constant, low-dissipation factor laminates including aerogel layers | 2020-05-15 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 23020577 | 2012-10-19 | Studies on catalytic enantioselective total synthesis of caprazamycin B: construction of the western zone | The Journal of organic chemistry |
| 20414238 | 2010-05-01 | Synergistic organocatalysis in the kinetic resolution of secondary thiols with concomitant desymmetrization of an anhydride | Nature chemistry |
| 18755512 | 2008-12-01 | Novel bis(carboxylato)dichlorido(ethane-1,2-diamine)platinum(IV) complexes with exceptionally high cytotoxicity | Journal of inorganic biochemistry |
