2-Methylene-1,3-propanediol
Product Information
Molecular Formula
C4H8O2
Molecular Weight
88.11
Description
2-Methylene-1,3-propanediol (CAS# 3513-81-3) is a useful research chemical.
Synonyms
2-methylenepropane-1,3-diol; 2-methylidenepropane-1,3-diol
IUPAC Name
2-methylidenepropane-1,3-diol
SMILES
C=C(CO)CO
InChI
InChI=1S/C4H8O2/c1-4(2-5)3-6/h5-6H,1-3H2
InChI Key
JFFYKITVXPZLQS-UHFFFAOYSA-N
Boiling Point
93-95 °C / 2 mmHg (lit.)
Flash Point
230.0 °CF - closed cup
Purity
97 %
Density
1.081 g/mL at 25 °C (lit.)
Refractive Index
n20/D 1.473 (lit.)
LogP
-0.47280
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
-0.4
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
88.052429494 g/mol
Monoisotopic Mass
88.052429494 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
6
Formal Charge
0
Complexity
43.5
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-113583015-A | Method for synthesizing chiral oxygen-containing eight-membered ring compound through palladium-catalyzed asymmetric allylic cycloaddition reaction | 2021-08-18 |
| CN-112191198-A | Isobutylene oxyacetylation reaction device and method | 2020-11-11 |
| CN-112341314-A | Method for preparing 2-methyl-1, 3-propylene glycol from isobutene | 2020-11-11 |
| CN-112191198-B | Isobutylene oxyacetylation reaction device and method | 2020-11-11 |
| CN-112341314-B | Method for preparing 2-methyl-1, 3-propylene glycol from isobutene | 2020-11-11 |
| WO-2022045259-A1 | Resin composition | 2020-08-31 |
| KR-20220021807-A | 2-methylene-1,3-propanediol derivatives including vinyl-linker, nonaqueous electrolyte for lithium secondary battery comprising the same, and lithium secondary battery | 2020-08-14 |
| CN-111718488-A | Single-ended dihydroxy alkyl silicone oil for polyurethane modification and preparation method thereof | 2020-08-06 |
| WO-2021241731-A1 | Resin composition, and aqueous coating fluid and multilayer structure each comprising same | 2020-05-29 |
| WO-2021235507-A1 | Modified ethylene/vinyl alcohol resin and gas-barrier material | 2020-05-21 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 15228292 | 2004-07-08 | Conformationally constrained analogues of diacylglycerol. 24. Asymmetric synthesis of a chiral (R)-DAG-lactone template as a versatile precursor for highly functionalized DAG-lactones | Organic letters |
| 15064804 | 2004-04-21 | Preparation and antiviral properties of new acyclic, achiral nucleoside analogues: 1- or 9-[3-hydroxy-2-(hydroxymethyl)prop-1-enyl]nucleobases and 1- or 9-[2,3-dihydroxy-2-(hydroxymethyl)propyl]nucleobases | Organic & biomolecular chemistry |
| 11300904 | 2001-03-23 | Synthesis of a fluorinated analogue of anticancer active ether lipids | The Journal of organic chemistry |
