3-Propoxypropane-1,2-diol

Base Information

• Chemical Name: 3-Propoxypropane-1,2-diol
• CAS No.: 61940-71-4
• Molecular Formula: C6H14 O3
• Molecular Weight: 134.175
• Hs Code.: 2909499000
• European Community (EC) Number: 257-787-0
• NSC Number: 167418
• UNII: DV77YE508B
• DSSTox Substance ID: DTXSID401334020
• Nikkaji Number: J803.490G
• Wikidata: Q27276622
• Mol file: 61940-71-4.mol

Synonyms:3-propoxypropane-1,2-diol;61940-71-4;Glycerol propyl ether;Propoxypropanediol;1-O-Propylglycerol;1,2-Propanediol, 3-propoxy-;3-Propoxy-1,2-propanediol;1-o-propyl-rac-glycerol;52250-41-6;BRN 1736327;UNII-DV77YE508B;DV77YE508B;EINECS 257-787-0;NSC-167418;3-01-00-02319 (Beilstein Handbook Reference);NSC167418;ORISTAR POPD;3-Propoxypropylenglycol;C(O)(CO)COCCC;3-propoxypro-pane-1,2-diol;SCHEMBL374763;PROPOXYPROPANEDIOL [INCI];3-PROPYLOXYPROPYLENE GLYCOL;DTXSID401334020;MFCD00128145;AKOS027384271;HY-W127533;NSC 167418;SB84012;LS-120728;(+/-)-3-PROPOXY-1,2-PROPANEDIOL;3-Propoxypropane-1,2-diol, >=98% (GC);CS-0185759;3-PROPOXY-1,2-PROPANEDIOL, (+/-)-;Q27276622

Chemical Property of 3-Propoxypropane-1,2-diol

Chemical Property:

• PSA: 49.69000
• LogP: -0.23380
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 134.094294304
• Heavy Atom Count: 9
• Complexity: 56.3

Purity/Quality:

99%, ^*data from raw suppliers

1-O-Propylglycerol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOCC(CO)O
• Uses: 1-O-Propylglycerol enhances the penetration of anticancer agents through the blood-brain barrier (BBB). It is also a constituent of hexadecylphosphocholine (miltefosine) as an anticancer agent.

Technology Process of 3-Propoxypropane-1,2-diol

There total 2 articles about 3-Propoxypropane-1,2-diol 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:

carbon monoxide (201230-82-2) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → tetrahydrofuran (109-99-9,24979-97-3,77392-70-2) + propan-1-ol (71-23-8) + propyl propionate (106-36-5) + Dipropyl ether (111-43-3) + 3-n-propoxy-1,2-propanediol (61940-71-4) + butan-1-ol (71-36-3)

Guidance literature:

With diiodidotetracarbonylruthenium(II); hydrogen; In water; at 200 ℃; for 8h; Product distribution; other conditions; var. polyols and sugars;

DOI:10.1016/0022-328X(91)80159-H

Reference yield:

propan-1-ol (71-23-8) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → 1,3-dipropyl glycerol (43015-17-4) + 3-n-propoxy-1,2-propanediol (61940-71-4) + tripropyl glycerol + 2-monopropyl glycerol (22598-17-0) + 1,2-dipropyl glycerol

Guidance literature:

With Amberlyst 36 dry sulfogroup cation exchange resin; at 95 - 135 ℃;

DOI:10.1134/S0036024414090337

Reference yield: 79.0%

3-n-propoxy-1,2-propanediol (61940-71-4) + benzaldehyde (100-52-7) → 2-phenyl-4-propoxymethyl-[1,3]dioxolane

Guidance literature:

With KU-2 cation exchanger H⁽¹⁺⁾; In toluene; at 130 ℃;

DOI:10.1023/B:RUGC.0000025512.21009.9e

upstream raw materials:

carbon monoxide

glycerol

propan-1-ol

Downstream raw materials:

propoxy-acetaldehyde-(2,4-dinitro-phenylhydrazone)

Refernces

• 1、 Braca, Giuseppe,Galletti, Anna Maria Raspolli,Sbrana, Glauco. "Anionic ruthenium iodocarbonyl complexes as selective dehydroxylation catalysts in aqueous solution". . p. 41 - 49. Retrieved 2007/10/02.