1,3-Dihydroxyacetone dimer

Base Information

• Chemical Name: 1,3-Dihydroxyacetone dimer
• CAS No.: 62147-49-3
• Molecular Formula: C6H12 O6
• Molecular Weight: 180.158
• Hs Code.: 2934999090
• European Community (EC) Number: 612-947-2,693-027-8
• DSSTox Substance ID: DTXSID401314347
• Nikkaji Number: J208.317E
• Wikidata: Q72466640
• Mol file: 62147-49-3.mol

Synonyms:1,3-Dihydroxyacetone dimer;26776-70-5;2,5-bis(hydroxymethyl)-1,4-dioxane-2,5-diol;1,3-Dihydroxypropan-2-one dimer;89727-88-8;62147-49-3;2,5-Dihydroxy-1,4-dioxane-2,5-dimethanol;Dihydroxyacetone dimer;2,5-Dihydroxydioxane-2,5-dimethanol;DIHYDROXYACETONE (DIMER);trans-2,5-Dihydroxy-1,4-Dioxane-2,5-dimethanol;1.3-dihydroxyacetone dimer;SCHEMBL229379;1,4-Dioxane-2,5- dimethanol, 2,5-dihydroxy-, (2R,5S)-rel-;CHEBI:173855;DTXSID401314347;1,3-Dihydroxyacetone dimer, 97%;2-Propanone,1,3-dihydroxy-,dimer;BCP30553;MFCD00051019;AKOS009158772;DS-8450;D0560;FT-0624971;FT-0753498;EN300-53035;D95312;A877145;J-507273;F0001-2347;1,4-Dioxane-2,5-dimethanol, 2,5-dihydroxy-, (2R,5S)-rel-

Chemical Property of 1,3-Dihydroxyacetone dimer

Chemical Property:

• Appearance/Colour: white to off-white crystalline powder
• Vapor Pressure: 6.59E-10mmHg at 25°C
• Melting Point: 70.00 - 80.00 ºC
• Refractive Index: 1.5730 (estimate)
• Boiling Point: 448 °C at 760 mmHg
• PKA: 11.11±0.40(Predicted)
• Flash Point: 224.7 °C
• PSA: 99.38000
• Density: 1.546 g/cm³
• LogP: -2.60500
• Storage Temp.: 2-8°C
• Sensitive.: Hygroscopic
• Solubility.: DMSO (Slightly), Water (Slightly)
• Water Solubility.: Soluble in ethanol, ethyl ether, acetone. Slightly soluble in water. Insoluble in ligroin.
• XLogP3: -3.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 180.06338810
• Heavy Atom Count: 12
• Complexity: 144

Purity/Quality:

99% ^*data from raw suppliers

1,3-Dihydroxyacetone dimer 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(OCC(O1)(CO)O)(CO)O
• Uses: 1,3-Dihydroxyacetone dimer is used as a catalytic agent and petrochemical additive. It is also used as a building block in organic synthesis. Further, it serves as a reagent in three-carbon nucleophilic or electrophilic component in various reactions.

Technology Process of 1,3-Dihydroxyacetone dimer

There total 13 articles about 1,3-Dihydroxyacetone dimer 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: 58.0%

glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → 1,3-dihydroxyacetone dimer (62147-49-3)

Guidance literature:

With C₃₂H₃₀N₄O₄Pd₂⁽²⁺⁾; p-benzoquinone; In water; acetonitrile; at 23 ℃; for 4h;

DOI:10.1002/anie.201004063

Reference yield:

D-glucose (50-99-7) → furfural (98-01-1) + 1,3-dihydroxyacetone dimer (62147-49-3) + Glyceraldehyde (56-82-6,367-47-5,26793-98-6)

Guidance literature:

With niobium(V) oxide; at 20 ℃; for 2h; Reagent/catalyst;

Reference yield:

D-xylose (58-86-6) → furfural (98-01-1) + 1,3-dihydroxyacetone dimer (62147-49-3) + Glyceraldehyde (56-82-6,367-47-5,26793-98-6)

Guidance literature:

With erbium(III) oxide; at 20 ℃; for 2h;

upstream raw materials:

formaldehyd

Glycolaldehyde

glycerol

D-glucose

Downstream raw materials:

1,3-dihydroxypropan-2-one 1,3-diiopanoate

2,2-dimethoxypropane-1,3-diol

dihydroxyacetone

5-hydroxymethyl-2-mercapto-1-methyl-1H-imidazole

Refernces

• 1、 -. "RETRO-ALDOL REACTION PRODUCTS AND METHODS OF MAKING AND USING SAME". Paragraph 0042-0044. . Retrieved 2014/09/29.
• 2、 Castells, Josep,Lopez-Calahorra, Francisco,Geijo, Fernando. "THE FORMOIN REACTION". . p. 197 - 208. Retrieved 2007/10/02.