3-Methoxy-1,2-propanediol

Base Information

• Chemical Name: 3-Methoxy-1,2-propanediol
• CAS No.: 623-39-2
• Deprecated CAS: 36887-04-4
• Molecular Formula: C₄H₁₀O₃
• Molecular Weight: 106.122
• Hs Code.: 29091990
• European Community (EC) Number: 210-791-6
• NSC Number: 6752
• UNII: 4G03VY2NKP
• DSSTox Substance ID: DTXSID3049336
• Nikkaji Number: J6.844F
• Wikidata: Q27259541
• RXCUI: 2604172
• ChEMBL ID: CHEMBL3187682
• Mol file: 623-39-2.mol

Synonyms:1-O-methylglycerol;3-methoxy-1,2-propanediol

Chemical Property of 3-Methoxy-1,2-propanediol

Chemical Property:

• Appearance/Colour: Colorless viscous liquid.
• Vapor Pressure: 0.0242mmHg at 25°C
• Refractive Index: 1.443-1.445
• Boiling Point: 220 ºC
• PKA: 13.68±0.20(Predicted)
• Flash Point: >110°C
• PSA: 49.69000
• Density: 1.114
• LogP: -1.01400
• Storage Temp.: 2-8°C
• Sensitive.: Hygroscopic
• Solubility.: Chloroform (Slightly), Ethanol (Slightly), Ethyl Acetate (Slightly), Methanol (S
• Water Solubility.: Soluble
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 106.062994177
• Heavy Atom Count: 7
• Complexity: 37.9

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Methoxy-1,2-propanediol ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Other Solvents
• Canonical SMILES: COCC(CO)O
• Uses: 3-Methoxy-1,2-propanediol is used to prepare phosphorothioate analogs of sn-2 radyl lysophosphatidic acid as metabolically stabilized LPA receptor agonists. It is also used to synthesize diacylglycerol analogs as potential second-messenger antagonists.

Technology Process of 3-Methoxy-1,2-propanediol

There total 30 articles about 3-Methoxy-1,2-propanediol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

4-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane (17226-68-5,51575-05-4,86158-11-4,130193-53-2) → glycerol 1-monomethyl ether (623-39-2,36887-04-4)

Guidance literature:

With phosphotungstic acid; water; In acetonitrile; at 20 ℃; for 2h;

DOI:10.1016/j.tetlet.2011.05.050

Reference yield: 99.0%

4-methoxymethyl-1,3-dioxolan-2-one (40492-31-7,135682-18-7) → methanol (67-56-1) + glycerol 1-monomethyl ether (623-39-2,36887-04-4)

Guidance literature:

With [carbonylchlorohydrido{bis[2-(diphenylphosphinomethyl)ethyl]amino}ethylamino] ruthenium(II); potassium tert-butylate; hydrogen; In tetrahydrofuran; at 140 ℃; for 4h; Autoclave;

DOI:10.1002/anie.201207781

Reference yield: 98.0%

glycidyl methyl ether (930-37-0) → glycerol 1-monomethyl ether (623-39-2,36887-04-4)

Guidance literature:

With perchloric acid; In water; at 80 ℃; for 24h;

DOI:10.1002/anie.200801591

upstream raw materials:

1,2-Dichlor-3-methoxy-propane

1,2-dibromo-3-methoxypropane

potassium acetate

acetic acid

Downstream raw materials:

methylallylether

methoxyacetaldehyde

3-methoxy-1-propanal

4-methoxymethyl-1,3-dioxolan-2-one

Refernces

• 1、 Pires, Elisabet,García, José Ignacio,Leal-Duaso, Alejandro,Mayoral, José Antonio,García-Peiro, José Ignacio,Velázquez, David. "Optimization of the synthesis of glycerol derived monoethers from glycidol by means of heterogeneous acid catalysis". . . Retrieved 2018/11/24.
• 2、 Leal-Duaso,Caballero,Urriolabeitia,Mayoral,García,Pires. "Synthesis of 3-alkoxypropan-1,2-diols from glycidol: Experimental and theoretical studies for the optimization of the synthesis of glycerol derived solvents". . p. 4176 - 4185. Retrieved 2017/09/07.