5-(Chloromethyl)-1,2,3-triethoxybenzene

Base Information

• Chemical Name: 5-(Chloromethyl)-1,2,3-triethoxybenzene
• CAS No.: 86603-79-4
• Molecular Formula: C13H19ClO3
• Molecular Weight: 258.745
• DSSTox Substance ID: DTXSID80598319
• Wikidata: Q82494067
• Mol file: 86603-79-4.mol

Synonyms:5-(Chloromethyl)-1,2,3-triethoxybenzene;86603-79-4;SCHEMBL8062101;DTXSID80598319;AKOS005928095

Chemical Property of 5-(Chloromethyl)-1,2,3-triethoxybenzene

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 258.1022722
• Heavy Atom Count: 17
• Complexity: 185

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC(=CC(=C1OCC)OCC)CCl

Technology Process of 5-(Chloromethyl)-1,2,3-triethoxybenzene

There total 2 articles about 5-(Chloromethyl)-1,2,3-triethoxybenzene 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:

3,4,5-triethoxybenzyl alcohol (39727-75-8) → 3,4,5-triethoxybenzyl chloride (86603-79-4)

Guidance literature:

With hydrogenchloride; at 100 ℃; Yield given;

DOI:10.1021/jm00373a013

Reference yield:

3,4,5-triethoxybenzoic acid ethyl ester (31374-71-7) → 3,4,5-triethoxybenzyl chloride (86603-79-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 8.6 g / LAH / tetrahydrofuran / 24 h / Heating

2: conc. aq. HCl / 100 °C

With hydrogenchloride; lithium aluminium tetrahydride; In tetrahydrofuran;

DOI:10.1021/jm00373a013

Reference yield: 85.0%

sodium cyanide (143-33-9,25596-52-5) + 3,4,5-triethoxybenzyl chloride (86603-79-4) → 3,4,5-triethoxybenzyl cyanide (57168-46-4)

Guidance literature:

In N,N-dimethyl-formamide; at 100 ℃; for 1h;

DOI:10.1021/jm00373a013

upstream raw materials:

3,4,5-triethoxybenzyl alcohol

3,4,5-triethoxybenzoic acid ethyl ester

Downstream raw materials:

3,4,5-triethoxybenzyl cyanide

3,4,5-triethoxyphenethylamine