[2-(2-Ethylhexoxy)-4-(hydroxymethyl)-5-methoxyphenyl]methanol

Base Information

• Chemical Name: [2-(2-Ethylhexoxy)-4-(hydroxymethyl)-5-methoxyphenyl]methanol
• CAS No.: 245731-58-2
• Molecular Formula: C17H28 O4
• Molecular Weight: 296.407
• Hs Code.: 2909499000
• DSSTox Substance ID: DTXSID50399330
• Mol file: 245731-58-2.mol

Synonyms:245731-58-2;(2-(2-ethylhexyloxy)-5-methoxy-1,4-phenylene)dimethanol;[2-(2-ethylhexoxy)-4-(hydroxymethyl)-5-methoxyphenyl]methanol;2-Methoxy-5-(2'-ethylhexyloxy)-1,4-bis(hydroxymethyl)benzene;2-METHOXY-5-(2'-ETHYLHEXYLOXY)-1 4-BIS(&;1,4-Benzenedimethanol, 2-[(2-ethylhexyl)oxy]-5-methoxy-;2-(2-Ethylhexyloxy)-5-methoxy-1,4-benzenedimethanol;SCHEMBL3475893;DTXSID50399330;MFCD03427231;W-206900;{2-[(2-Ethylhexyl)oxy]-5-methoxy-1,4-phenylene}dimethanol;2-Methoxy-5-(2'-ethylhexyloxy)-1,4-bis(hydroxymethyl)benzene, 98%

Chemical Property of [2-(2-Ethylhexoxy)-4-(hydroxymethyl)-5-methoxyphenyl]methanol

Chemical Property:

• Melting Point: 63.4-64.5 °C(lit.)
• Boiling Point: 442.6±40.0 °C(Predicted)
• PKA: 14.08±0.10(Predicted)
• PSA: 58.92000
• Density: 1.054±0.06 g/cm3(Predicted)
• LogP: 3.27500
• Sensitive.: Air Sensitive
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 296.19875937
• Heavy Atom Count: 21
• Complexity: 259

Purity/Quality:

98% purity ^*data from raw suppliers

2-Methoxy-5-(2′-ethylhexyloxy)-1,4-bis(hydroxymethyl)benzene 98% ^*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: CCCCC(CC)COC1=CC(=C(C=C1CO)OC)CO

Technology Process of [2-(2-Ethylhexoxy)-4-(hydroxymethyl)-5-methoxyphenyl]methanol

There total 6 articles about [2-(2-Ethylhexoxy)-4-(hydroxymethyl)-5-methoxyphenyl]methanol 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:

1-((2-ethylhexyl)oxy)-4-methoxybenzene (146370-51-6) → [2-(2'-ethylhexyloxy)-4-(hydroxymethyl)-5-methoxyphenyl]methan-1-ol (245731-58-2)

Guidance literature:

Multi-step reaction with 2 steps

1: HCl; H₂SO₄

2: CaCO₃; H₂O / dioxane

With hydrogenchloride; sulfuric acid; water; calcium carbonate; In 1,4-dioxane;

DOI:10.1021/ma049728g

Reference yield:

2-Methoxy-5-(2'-ethylhexyloxy)-1,4-bisacethoxymethylbenzene (245731-57-1) → [2-(2'-ethylhexyloxy)-4-(hydroxymethyl)-5-methoxyphenyl]methan-1-ol (245731-58-2)

Guidance literature:

With sodium hydroxide; In ethanol;

DOI:10.1002/(SICI)1521-3765(20000417)6:8<1318::AID-CHEM1318>3.0.CO;2-I

Reference yield:

α,α'-dichloro-p-<5-((2'-ethylhexyl)oxy)-2-methoxy>xylene (146370-52-7) → [2-(2'-ethylhexyloxy)-4-(hydroxymethyl)-5-methoxyphenyl]methan-1-ol (245731-58-2)

Guidance literature:

With water; calcium carbonate; In 1,4-dioxane;

DOI:10.1021/ma049728g

upstream raw materials:

2-Methoxy-5-(2'-ethylhexyloxy)-1,4-bisacethoxymethylbenzene

α,α'-dichloro-p-<5-((2'-ethylhexyl)oxy)-2-methoxy>xylene

3-bromomethylheptane

4-methoxy-phenol

Downstream raw materials:

5-(2'-ethylhexyloxy)-2-methoxybenzene-1,4-dicarbaldehyde

Refernces

• 1、 Xiao,Yu,Chua,Huang. "A novel series of copolymers containing 2,5-dicyano-1,4- phenylenevinylene - Synthetic tuning of the HOMO and LUMO energy levels of conjugated polymers". . p. 1318 - 1321. Retrieved 2007/10/03.