2-(2,2-Diethoxyethyl)-1,3-propanediol

Base Information

• Chemical Name: 2-(2,2-Diethoxyethyl)-1,3-propanediol
• CAS No.: 55387-85-4
• Molecular Formula: C9H20O4
• Molecular Weight: 192.255
• Hs Code.: 2911000000
• DSSTox Substance ID: DTXSID20480168
• Wikidata: Q82314763
• Mol file: 55387-85-4.mol

Synonyms:2-(2,2-Diethoxyethyl)-1,3-propanediol;55387-85-4;2-(2,2-diethoxyethyl)propane-1,3-diol;3,3-Bis(hydroxymethyl)propionaldehyde Diethyl Acetal;1,3-Propanediol, 2-(2,2-diethoxyethyl)-;SCHEMBL709407;DTXSID20480168;HKZYWLNVGYRMDG-UHFFFAOYSA-N;CS-B0607;4,4-Diethoxy-2-hydroxymethylbutanol;MFCD00671524;AKOS037650154;CS-14367;SY054437;2-(2,2-diethoxy-ethyl)-propane-1,3-diol;3,3-Diethoxy-1,1-bis(hydroxymethyl)propane;D2437;FT-0756881;3-hydroxymethyl-4-hydroxybutanal diethyl acetal;1H-BENZIMIDAZOLE-2-CARBOXALDEHYDE,5-CHLORO-

Chemical Property of 2-(2,2-Diethoxyethyl)-1,3-propanediol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.454
• Boiling Point: 301.09oC at 760 mmHg
• Flash Point: 135.895oC
• PSA: 58.92000
• Density: 1.04
• LogP: 0.37640
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 192.13615911
• Heavy Atom Count: 13
• Complexity: 97.8

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(2,2-Diethoxyethyl)-1,3-propanediol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(CC(CO)CO)OCC

Technology Process of 2-(2,2-Diethoxyethyl)-1,3-propanediol

There total 4 articles about 2-(2,2-Diethoxyethyl)-1,3-propanediol 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: 94.0%

diethyl 2-(2,2-diethoxyethyl)malonate (21339-47-9) → 3-hydroxymethyl-4-hydroxybutanal diethyl acetal (55387-85-4)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at 20 ℃; for 18h;

DOI:10.1016/S0040-4039(00)02326-1

Reference yield:

Bromoacetaldehyde diethyl acetal (2032-35-1) → 3-hydroxymethyl-4-hydroxybutanal diethyl acetal (55387-85-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 60 percent / NaOEt; NaI / ethanol / 48 h / Heating

2: 94 percent / LiAlH₄ / diethyl ether / 18 h / 20 °C

With lithium aluminium tetrahydride; sodium ethanolate; sodium iodide; In diethyl ether; ethanol;

DOI:10.1016/S0040-4039(00)02326-1

Reference yield:

Bromoacetaldehyde diethyl acetal (2032-35-1) + diethyl malonate (105-53-3) → 3-hydroxymethyl-4-hydroxybutanal diethyl acetal (55387-85-4)

Guidance literature:

With lithium aluminium tetrahydride; sodium hydride; Yield given. Multistep reaction; 1.) EtOH, reflux, 48 h, 2.) Et₂O;

DOI:10.1016/S0040-4039(00)93992-3

upstream raw materials:

diethyl 2-(2,2-diethoxyethyl)malonate

Bromoacetaldehyde diethyl acetal

diethyl malonate

Downstream raw materials:

(R)-2-(2,2-diethoxyethyl)-1,3-propanediol monoacetate

({4,4-diethoxy-2-[(phenylthio)methyl]butyl}thio)benzene

ethyl 4-({[tert-butyl(dimethyl)silyl]oxy}methyl)-6-(phenylthio)-5-[(phenylthio)methyl]hexanoate

ethyl 4-({[tert-butyl(dimethyl)silyl]oxy}methyl)-6-(phenylsulfonyl)-5-[(phenylsulfonyl)methyl]hexanoate