2,5-Diethoxybenzyl alcohol

Base Information

• Chemical Name: 2,5-Diethoxybenzyl alcohol
• CAS No.: 351002-98-7
• Molecular Formula: C11H16 O3
• Molecular Weight: 196.246
• Hs Code.: 2909499000
• DSSTox Substance ID: DTXSID00399224
• Wikidata: Q82201630
• Mol file: 351002-98-7.mol

Synonyms:2,5-Diethoxybenzyl alcohol;(2,5-diethoxyphenyl)methanol;351002-98-7;SCHEMBL3742706;DTXSID00399224;2 5-Diethoxybenzyl alcohol 99;DUQDSCGMPBHENF-UHFFFAOYSA-N;2,5-Diethoxybenzyl alcohol, 99%;AKOS015889033;J-019903

Chemical Property of 2,5-Diethoxybenzyl alcohol

Chemical Property:

• Vapor Pressure: 0.000169mmHg at 25°C
• Melting Point: 50-54 °C(lit.)
• Refractive Index: 1.512
• Boiling Point: 316.8°C at 760 mmHg
• PKA: 14.18±0.10(Predicted)
• Flash Point: >230 °F
• PSA: 38.69000
• Density: 1.064g/cm³
• LogP: 1.97630
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 196.109944368
• Heavy Atom Count: 14
• Complexity: 150

Purity/Quality:

2,5-Diethoxybenzyl alcohol 99% ^*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: CCOC1=CC(=C(C=C1)OCC)CO

Technology Process of 2,5-Diethoxybenzyl alcohol

There total 3 articles about 2,5-Diethoxybenzyl alcohol 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:

2,5-diethoxybenzaldehyde (4686-98-0) → 2,5-diethoxybenzyl alcohol (351002-98-7)

Guidance literature:

With sodium tetrahydroborate; In ethanol; at 25 ℃;

DOI:10.1039/c5ra19569a

Reference yield:

1,4-diethoxybenzene (122-95-2) → 2,5-diethoxybenzyl alcohol (351002-98-7)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone / acetonitrile / 80 °C

2: sodium tetrahydroborate / ethanol / 25 °C

With sodium tetrahydroborate; sulfuric acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In ethanol; acetonitrile;

DOI:10.1039/c5ra19569a

Reference yield:

2,5-Dihydroxybenzaldehyde (1194-98-5) → 2,5-diethoxybenzyl alcohol (351002-98-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium carbonate; potassium iodide / acetone / 0.5 h / 50 °C

1.2: 12 h / 80 - 85 °C

2.1: sodium tetrahydroborate; methanol / tetrahydrofuran / 4.5 h / 100 °C

With methanol; sodium tetrahydroborate; potassium carbonate; potassium iodide; In tetrahydrofuran; acetone; 1.1: |Williamson Ether Synthesis;

DOI:10.1016/j.bioorg.2020.104239

upstream raw materials:

2,5-diethoxybenzaldehyde

1,4-diethoxybenzene

2,5-Dihydroxybenzaldehyde

Downstream raw materials:

1,4-diethoxy-2-chloromethyl-benzene