1,2-Propanediol, 3,3'-[oxybis[(2-hydroxy-3,1-propanediyl)oxy]]bis-

Base Information

• Chemical Name: 1,2-Propanediol, 3,3'-[oxybis[(2-hydroxy-3,1-propanediyl)oxy]]bis-
• CAS No.: 21872-45-7
• Molecular Formula: C12H26O9
• Molecular Weight: 314.333
• DSSTox Substance ID: DTXSID00432362
• Nikkaji Number: J1.497.351F
• Mol file: 21872-45-7.mol

Synonyms:21872-45-7;1,2-Propanediol, 3,3'-[oxybis[(2-hydroxy-3,1-propanediyl)oxy]]bis-;YX76MGM96B;SCHEMBL10329835;DTXSID00432362;4,8,12-Trioxapentadecane-1,2,6,10,14,15-hexol

Chemical Property of 1,2-Propanediol, 3,3'-[oxybis[(2-hydroxy-3,1-propanediyl)oxy]]bis-

Chemical Property:

• PSA: 149.07000
• LogP: -3.53560
• XLogP3: -4.1
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 14
• Exact Mass: 314.15768240
• Heavy Atom Count: 21
• Complexity: 207

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(COCC(COCC(COCC(CO)O)O)O)O)O

Technology Process of 1,2-Propanediol, 3,3'-[oxybis[(2-hydroxy-3,1-propanediyl)oxy]]bis-

There total 5 articles about 1,2-Propanediol, 3,3'-[oxybis[(2-hydroxy-3,1-propanediyl)oxy]]bis- 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: 19.55%

glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → 2,5-Bis(hydroxymethyl)-1,4-dioxane (14236-12-5) + 2,6-bis(hydroxymethyl)-1,4-dioxane + triglycerin (20411-31-8) + diglycerol (627-82-7) + 4,8,12-trioxapentadecane-1,2,6,10,14,15-hexaol (21872-45-7)

Guidance literature:

With dihydrogen peroxide; at 250 ℃; for 6h; Reagent/catalyst; Time;

DOI:10.1016/j.cattod.2013.03.040

Reference yield:

glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → triglycerin (20411-31-8) + diglycerol (627-82-7) + 4,8,12-trioxapentadecane-1,2,6,10,14,15-hexaol (21872-45-7)

Guidance literature:

ion exchange resin A₁₉; at 124 ℃; for 6h; Product distribution; also with ion exchange resin C₂₆₄ as catalyst;

Reference yield:

3-monochloro-1,2-propanediol (96-24-2) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → triglycerin (20411-31-8) + diglycerol (627-82-7) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) + 4,8,12-trioxapentadecane-1,2,6,10,14,15-hexaol (21872-45-7) + 4,8,12,16-tetraoxanonadecane-1,2,6,10,14,18,19-heptaol + [14C]hexaglycerol

Guidance literature:

3-monochloro-1,2-propanediol; epichlorohydrin; tin(IV) chloride; at 60 - 70 ℃; for 3h;

With sodium hydroxide; water; at 90 ℃; for 3h;

With hydrogenchloride; In water; Product distribution / selectivity;

upstream raw materials:

glycerol

3-monochloro-1,2-propanediol

epichlorohydrin

diglycerol

Refernces

• 1、 -. "PROCESS OF PRODUCING POLYGLYCEROL FROM CRUDE GLYCEROL". Page/Page column 3. . Retrieved 2011/06/10.
• 2、 Bouillaud, Alain,Dargelos, Marianne,Borredon, Marie-Elisabeth. "Synthesis of Dibromohydrins from Glycerol by Using an Ion Exchange Resin as Catalyst". . p. 2123 - 2128. Retrieved 2007/10/02.