2-(Hydroxymethyl)propane-1,2,3-triol

Base Information

• Chemical Name: 2-(Hydroxymethyl)propane-1,2,3-triol
• CAS No.: 2972-19-2
• Molecular Formula: C4H10 O4
• Molecular Weight: 122.121
• Hs Code.: 2905499000
• DSSTox Substance ID: DTXSID80543203
• Nikkaji Number: J1.590.417H
• Wikidata: Q82420040
• Mol file: 2972-19-2.mol

Synonyms:2972-19-2;SCHEMBL407725;DTXSID80543203;HXYJZJOQRLOUPP-UHFFFAOYSA-N;2-(Hydroxymethyl)propane-1,2,3-triol

Chemical Property of 2-(Hydroxymethyl)propane-1,2,3-triol

Chemical Property:

• PSA: 80.92000
• LogP: -2.30560
• XLogP3: -2.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 122.05790880
• Heavy Atom Count: 8
• Complexity: 50.8

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(CO)(CO)O)O

Technology Process of 2-(Hydroxymethyl)propane-1,2,3-triol

There total 2 articles about 2-(Hydroxymethyl)propane-1,2,3-triol 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:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + D-Fructose (57-48-7,18875-34-8) → formic acid (64-18-6) + 2-hydroxymethyl-1,2,3-propanetriol (2972-19-2)

Guidance literature:

With 2-(Diethylamino)ethanol; In water; for 20h; Product distribution; Mechanism; various additives and catalysts dependence;

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) → 2-hydroxymethyl-1,2,3-propanetriol (2972-19-2) + erythrulose (40031-31-0) + dihydroxyacetone (96-26-4,26776-70-5) + 2,4-bis(hydroxymethyl)-1,2,3,4,5-pentanepantaol (65997-85-5) + 2,4-di-C-(hydroxymethyl)-3-pentulose (74042-85-6)

Guidance literature:

With Thiamine hydrochloride; triethylamine; In water; N,N-dimethyl-formamide; at 75 ℃; Product distribution; var. of water content in solvent; var. of amount of triethylamine; effect of formaldehyde, thiamine*HCl concentration;

DOI:10.1246/bcsj.63.389

upstream raw materials:

formaldehyd

D-Fructose

Refernces

• 1、 Matsumoto, Toshihiko,Inoue, Shohei. "Formose Reactions. Part 3. Selective Formose Reaction Catalyzed by Organic Bases". . p. 1975 - 1980. Retrieved 2007/10/02.