3,4-Diethoxybenzyl alcohol

Base Information

• Chemical Name: 3,4-Diethoxybenzyl alcohol
• CAS No.: 83459-29-4
• Molecular Formula: C11H16O3
• Molecular Weight: 196.246
• Hs Code.: 2909499000
• DSSTox Substance ID: DTXSID30357539
• Nikkaji Number: J3.509.654J
• Wikidata: Q72468887
• Mol file: 83459-29-4.mol

Synonyms:3,4-Diethoxybenzyl alcohol;(3,4-diethoxyphenyl)methanol;83459-29-4;3,4-Diethoxybenzylalcohol;3,4-Diethoxyphenylmethanol;3,4-Diethoxyphenyl methanol;SCHEMBL697888;DTXSID30357539;ZOLYZUOLHFXYQD-UHFFFAOYSA-N;HMS1783J06;3,4-Diethoxybenzyl alcohol, 97%;MFCD01321083;AKOS000248967;CS-0224823;EN300-12112;Z57983014

Chemical Property of 3,4-Diethoxybenzyl alcohol

Chemical Property:

• Vapor Pressure: 0.000299mmHg at 25°C
• Melting Point: 39-43 °C(lit.)
• Refractive Index: 1.512
• Boiling Point: 308.2 °C at 760 mmHg
• Flash Point: 140.2 °C
• PSA: 38.69000
• Density: 1.064g/cm³
• LogP: 1.97630
• XLogP3: 1.3
• 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:

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

3,4-Diethoxybenzyl alcohol ^*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=C(C=C(C=C1)CO)OCC

Technology Process of 3,4-Diethoxybenzyl alcohol

There total 4 articles about 3,4-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: 97.0%

3,4-diethoxybenzaldehyde (2029-94-9) → (3,4-diethoxyphenyl)methanol (83459-29-4)

Guidance literature:

With hydrogen; In methanol; at 20 ℃; for 4h; chemoselective reaction;

DOI:10.1016/j.tetlet.2015.09.154

Reference yield: 96.0%

3,4-diethoxybenzoic acid (5409-31-4) → (3,4-diethoxyphenyl)methanol (83459-29-4)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; a) 0 deg C to 20 deg C, 1.5 h, b) reflux, 3 h;

DOI:10.1016/S0957-4166(00)82251-X

Reference yield:

3,4-dihydroxybenzaldehyde (139-85-5) → (3,4-diethoxyphenyl)methanol (83459-29-4)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / acetone / Reflux

2: sodium tetrahydroborate / methanol / 20 °C

With sodium tetrahydroborate; potassium carbonate; In methanol; acetone;

DOI:10.1016/j.ejmech.2012.11.031

upstream raw materials:

3,4-diethoxybenzaldehyde

3,4-diethoxybenzoic acid

4-ethoxy-3-hydroxybenzaldehyde

3,4-dihydroxybenzaldehyde

Downstream raw materials:

(S)-acetic acid 3-(3,4-diethoxyphenyl)-2-methanesulfonyloxymethylpropyl ester

Pentanedioic acid bis-(4,5-diethoxy-2-nitro-benzyl) ester

dimethyl 2-(3,4-diethoxyphenyl)-2-methyl malonate

methyl 2-cyano-2-(3,4-diethoxyphenyl) propionate

Refernces

• 1、 Chan, Sock Ying,Loh, Yean Chun,Oo, Chuan Wei,Yam, Mun Fei. "In vitro study and structure-activity relationship analysis of stilbenoid derivatives as powerful vasorelaxants: Discovery of new lead compound". . . Retrieved 2020/10/12.
• 2、 Kudou, Naoki,Taniguchi, Akira,Sugimoto, Kenji,Matsuya, Yuji,Kawasaki, Masashi,Toyooka, Naoki,Miyoshi, Chika,Awale, Suresh,Dibwe, Dya Fita,Esumi, Hiroyasu,Kadota, Shigetoshi,Tezuka, Yasuhiro. "Synthesis and antitumor evaluation of arctigenin derivatives based on antiausterity strategy". . p. 76 - 88. Retrieved 2013/04/10.