3-(2-Ethylphenoxy)propane-1,2-diol

Base Information

• Chemical Name: 3-(2-Ethylphenoxy)propane-1,2-diol
• CAS No.: 7149-82-8
• Molecular Formula: C11H16O3
• Molecular Weight: 196.246
• European Community (EC) Number: 695-425-7
• NSC Number: 72336
• Nikkaji Number: J50.826H
• ChEMBL ID: CHEMBL2392190
• Mol file: 7149-82-8.mol

Synonyms:3-(2-ethylphenoxy)propane-1,2-diol;3-(o-Ethylphenoxy)-1,2-propanediol;7149-82-8;NSC 72336;BRN 3254153;1,2-Propanediol, 3-(o-ethylphenoxy)-;1,2-Propanediol, 3-(2-ethylphenoxy)-;NSC72336;3-(2-ethylphenoxy)-1,2-propanediol;1, 3-(o-ethylphenoxy)-;WLN: Q1YQ1OR B2;1, 3-(2-ethylphenoxy)-;3-06-00-01657 (Beilstein Handbook Reference);SCHEMBL5878127;CHEMBL2392190;NSC-72336;AKOS017515157

Chemical Property of 3-(2-Ethylphenoxy)propane-1,2-diol

Chemical Property:

• Vapor Pressure: 1.77E-05mmHg at 25°C
• Boiling Point: 349.3°Cat760mmHg
• Flash Point: 165.1°C
• PSA: 49.69000
• Density: 1.123g/cm³
• LogP: 0.98100
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 196.109944368
• Heavy Atom Count: 14
• Complexity: 150

Purity/Quality:

97% ^*data from raw suppliers

3-(2-ETHYLPHENOXY)-1,2-PROPANEDIOL Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC1=CC=CC=C1OCC(CO)O

Technology Process of 3-(2-Ethylphenoxy)propane-1,2-diol

There total 2 articles about 3-(2-Ethylphenoxy)propane-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: 89.0%

o-Hydroxyethylbenzene (90-00-6) + 3-monochloro-1,2-propanediol (96-24-2) → rac-3-(2-ethylphenoxy)propane-1,2-diol (7149-82-8)

Guidance literature:

With sodium hydroxide; In N,N-dimethyl-formamide; at 210 ℃; for 0.25h; Microwave irradiation;

DOI:10.1021/jm400401y

Reference yield:

→ rac-3-(2-ethylphenoxy)propane-1,2-diol (7149-82-8)

Guidance literature:

With ethanol; Erwaermen auf dem Dampfbad;

DOI:10.1021/ja01145a116

Reference yield: 48.5%

rac-3-(2-ethylphenoxy)propane-1,2-diol (7149-82-8) → (R,S)-1-(2′-ethylphenoxy)-2,3-epoxy-propane (15620-78-7)

Guidance literature:

With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; at 4 ℃; for 24h; Inert atmosphere; Reflux;

DOI:10.1016/j.tetasy.2016.05.001

upstream raw materials:

o-Hydroxyethylbenzene

3-monochloro-1,2-propanediol

Downstream raw materials:

(S)-3-(2'-ethylphenoxy)-propane-1,2-diol

(R)-3-(2'-ethylphenoxy)-propane-1,2-diol

1-(2′-ethylphenoxy)-2,3-epoxy-propane

(R,S)-1-(2′-ethylphenoxy)-2,3-epoxy-propane

Refernces

• 1、 Bredikhin, Alexander A.,Bredikhina, Zemfira A.,Novikova, Victorina G.,Pashagin, Alexander V.,Zakharychev, Dmitry V.,Gubaidullin, Aidar T.. "Three different types of chirality-driven crystallization within the series of uniformly substituted phenyl glycerol ethers". . p. 1092 - 1103. Retrieved 2015/02/05.