1,3-Dioxan-5-ylmethanol

Base Information

• Chemical Name: 1,3-Dioxan-5-ylmethanol
• CAS No.: 4728-07-8
• Molecular Formula: C5H10O3
• Molecular Weight: 118.1311
• European Community (EC) Number: 863-011-7
• NSC Number: 139453
• DSSTox Substance ID: DTXSID30300863
• Wikidata: Q82044262
• Mol file: 4728-07-8.mol

Synonyms:1,3-dioxan-5-ylmethanol;4728-07-8;1,3-Dioxane-5-methanol;(1,3-dioxan-5-yl)methanol;5-hydroxymethyl-1,3-dioxane;NSC139453;SCHEMBL712274;DTXSID30300863;HILNBNGLDIFMAH-UHFFFAOYSA-N;NSC-139453;EN300-134574

Chemical Property of 1,3-Dioxan-5-ylmethanol

Chemical Property:

• Vapor Pressure: 0.0847mmHg at 25°C
• Boiling Point: 199.6°Cat760mmHg
• Flash Point: 91.3°C
• Density: 1.102g/cm³
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 118.062994177
• Heavy Atom Count: 8
• Complexity: 58.7

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(COCO1)CO

Technology Process of 1,3-Dioxan-5-ylmethanol

There total 4 articles about 1,3-Dioxan-5-ylmethanol 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: 48.0%

1,3-dioxane-5-carboxylic acid (5703-44-6) → 5-hydroxymethyl-1,3-dioxane (4728-07-8)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 3h; Heating;

Reference yield: 40.3%

Dimethoxymethane (109-87-5) + 2-hydroxymethyl-1,3-propanediol (4704-94-3) → 5-hydroxymethyl-1,3-dioxane (4728-07-8)

Guidance literature:

With toluene-4-sulfonic acid; lithium bromide; In dichloromethane; for 168h;

Reference yield:

5,5-diethoxycarbonyl-1,3-dioxane (51335-73-0) → 5-hydroxymethyl-1,3-dioxane (4728-07-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 60 percent / KOH / ethanol / 1 h / Heating

2: 68 percent / pyridine / 1.5 h / Heating

3: 48 percent / LiAlH₄ / diethyl ether / 3 h / Heating

With pyridine; potassium hydroxide; lithium aluminium tetrahydride; In diethyl ether; ethanol;

upstream raw materials:

1,3-dioxane-5-carboxylic acid

5,5-diethoxycarbonyl-1,3-dioxane

1,3-dioxane-5,5-dicarboxylic acid

Dimethoxymethane

Downstream raw materials:

{[(1,3-dioxan-5-ylmethoxy)carbonyl]oxy}methyl (4S,5S)-5-((2S)-2-{[(3-amino-2,2-dimethyl-3-oxopropyl)amino]carbonyl}-3-methylbutyl)-4-{(2S)-2-[4-methoxy-3-(3-methoxypropoxy)benzyl]-3-methylbutyl}-1,3-oxazolidine-3-carboxylate

5-bromomethyl-1,3-dioxane

Refernces

• 1、 Gensini, Martina,Altamura, Maria,Dimoulas, Tula,Fedi, Valentina,Giannotti, Danilo,Giuliani, Sandro,Guidi, Antonio,Harmat, Nicholas J. S.,Meini, Stefania,Nannicini, Rossano,Pasqui, Franco,Tramontana, Manuela,Triolo, Antonio,Maggi, Carlo Alberto. "Modulation on C- and N-terminal moieties of a series of potent and selective linear tachykinin NK2 receptor antagonists". experimental part. p. 65 - 78. Retrieved 2010/11/16.
• 2、 MacCorquodale, Finlay,Walton, John C.,Hughes, Lise,Ingold, Keith U.. "Cycloalkylmethyl Radicals. Part 8. A Conformational Study of Dioxa- and Dithia-cyclohexylmethyl Radicals by EPR Spectroscopy". . p. 1893 - 1900. Retrieved 2007/10/02.