trans-2,5-Bis-(hydroxymethyl)-1,4-dioxane

Base Information

• Chemical Name: trans-2,5-Bis-(hydroxymethyl)-1,4-dioxane
• CAS No.: 452055-83-3
• Molecular Formula: C₆H₁₂O₄
• Molecular Weight: 148.159
• European Community (EC) Number: 891-294-7,968-857-1
• Nikkaji Number: J850.359A
• Mol file: 452055-83-3.mol

Synonyms:trans-2,5-bis-(hydroxymethyl)-1,4-dioxane;87133-52-6;(trans-1,4-Dioxane-2,5-diyl)dimethanol;[(2S,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]methanol;SCHEMBL942150;trans-1,4-dioxane-2,5-dimethanol;MFCD16659995;AKOS027325339;trans-2,5-bis-(hydroxymethyl) -p-dioxane;CS-0456748;((2R,5S)-1,4-dioxane-2,5-diyl)dimethanol;EN300-1720845;[(2R,5S)-5-(hydroxymethyl)-1,4-dioxan-2-yl]methanol;452055-83-3

Chemical Property of trans-2,5-Bis-(hydroxymethyl)-1,4-dioxane

Chemical Property:

• XLogP3: -1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 148.07355886
• Heavy Atom Count: 10
• Complexity: 83.7

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(OCC(O1)CO)CO
• Isomeric SMILES: C1[C@@H](OC[C@H](O1)CO)CO

Technology Process of trans-2,5-Bis-(hydroxymethyl)-1,4-dioxane

There total 4 articles about trans-2,5-Bis-(hydroxymethyl)-1,4-dioxane 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: 97.0%

trans-2,5-bis(acetoxymethyl)-1,4-dioxane (42776-40-9) → trans-2,5-bis-(hydroxymethyl)-1,4-dioxane (87133-52-6,452055-83-3)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; methanol; for 1h; Reflux;

Reference yield:

trans-1,4-dioxane-2,5-dicarboxylic acid (6938-88-1) → trans-2,5-bis-(hydroxymethyl)-1,4-dioxane (87133-52-6,452055-83-3)

Guidance literature:

With lithium aluminium tetrahydride; diethyl ether;

DOI:10.1021/ja01653a046

Reference yield:

trans-2,6-Bis(iodomethyl)-1,4-dioxane (56127-59-4) → trans-2,5-bis-(hydroxymethyl)-1,4-dioxane (87133-52-6,452055-83-3)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium acetate; acetic acid

2: hydrogen chloride; methanol

With hydrogenchloride; methanol; potassium acetate; acetic acid;

DOI:10.1021/ja01653a046

upstream raw materials:

trans-2,5-bis(acetoxymethyl)-1,4-dioxane

trans-1,4-dioxane-2,5-dicarboxylic acid

trans-2,6-Bis(iodomethyl)-1,4-dioxane

(+/-)-cis-[1,4]dioxane-2,5-dicarboxylic acid

Downstream raw materials:

(2S,5S)-5-((5-(6-((4-fluoro-3-methoxybenzyl)carbamoyl)-2-methylpyrimidin-4-yl)-2H-tetrazol-2-yl)methyl)-1,4-dioxane-2-carboxylic acid

N-(4-fluoro-3-methoxybenzyl)-6-(2-(((2R,5S)-5-(hydroxymethyl)-1,4-dioxan-2-yl)methyl)-2H-tetrazol-5-yl)-2-methylpyrimidine-4-carboxamide

N-(4-fluoro-3-methoxybenzyl)-6-(2-(((2S,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl)methyl)-2H-tetrazol-5-yl)-2-methylpyrimidine-4-carboxamide

((2S,5S)-5-(hydroxymethyl)-1,4-dioxan-2-yl)methyl 4-methylbenzenesulfonate