1,3-Dioxolane-2-propanol

Base Information

• Chemical Name: 1,3-Dioxolane-2-propanol
• CAS No.: 85391-14-6
• Molecular Formula: C6H12O3
• Molecular Weight: 132.159
• Hs Code.: 2932999099
• European Community (EC) Number: 286-766-9
• UNII: 6LH9DR522U
• DSSTox Substance ID: DTXSID201005853
• Nikkaji Number: J310.330G
• Wikidata: Q27265104
• Mol file: 85391-14-6.mol

Synonyms:1,3-Dioxolane-2-propanol;85391-14-6;3-(1,3-Dioxolan-2-yl)propan-1-ol;1,3-Dioxolane-2-propan-1-ol;EINECS 286-766-9;UNII-6LH9DR522U;6LH9DR522U;3-(1,3-Dioxolan-2-yl)-1-propanol;SCHEMBL10300847;UKTATNSTZBXLDE-UHFFFAOYSA-N;DTXSID201005853;3(1,3-dioxolan-2-yl)propan-1-ol;EN300-315212;J-510413;Q27265104

Chemical Property of 1,3-Dioxolane-2-propanol

Chemical Property:

• Vapor Pressure: 0.049mmHg at 25°C
• Boiling Point: 208.6°Cat760mmHg
• PKA: 15.14±0.10(Predicted)
• Flash Point: 96.4°C
• PSA: 38.69000
• Density: 1.079g/cm³
• LogP: 0.13180
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 132.078644241
• Heavy Atom Count: 9
• Complexity: 68.7

Purity/Quality:

97% ^*data from raw suppliers

3-(1,3-Dioxolan-2-yl)propan-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC(O1)CCCO

Technology Process of 1,3-Dioxolane-2-propanol

There total 3 articles about 1,3-Dioxolane-2-propanol 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: 79.0%

2-bromo-2-(2-ethyl)dioxolane (18742-02-4) + formaldehyd (50-00-0,30525-89-4,61233-19-0) → 3-(1,3-dioxolan-2-yl)propan-1-ol (85391-14-6)

Guidance literature:

2-bromo-2-(2-ethyl)dioxolane; With magnesium; In tetrahydrofuran; at 23 ℃; for 2h;

formaldehyd; In tetrahydrofuran; at -78 - 23 ℃; for 5.5h;

DOI:10.1021/jo9909002

Reference yield: 57.0%

2-(3-(benzyloxy)propyl)-1,3-dioxolane (1258760-62-1) → 3-(1,3-dioxolan-2-yl)propan-1-ol (85391-14-6)

Guidance literature:

With triphenylphosphine hydrobromide; In acetonitrile; at 100 ℃; for 0.5h; Microwave irradiation; sealed tube;

DOI:10.1016/j.tetlet.2010.09.065

Reference yield: 57.0%

ethyl 3-(1,3-dioxolan-2-yl)propionate (86197-13-9) → 3-(1,3-dioxolan-2-yl)propan-1-ol (85391-14-6)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 2h; Heating;

DOI:10.1021/jm00155a013

upstream raw materials:

ethyl 3-(1,3-dioxolan-2-yl)propionate

2-bromo-2-(2-ethyl)dioxolane

formaldehyd

2-(3-(benzyloxy)propyl)-1,3-dioxolane

Downstream raw materials:

C₁₂H₁₅NO₄Se

3-([1,3]-dioxolan-2-yl)propanal