(2-(2',6'-Dimethoxy)phenoxyethylamino)methylbenzo-1,4-dioxane

Base Information

• Chemical Name: (2-(2',6'-Dimethoxy)phenoxyethylamino)methylbenzo-1,4-dioxane
• CAS No.: 613-67-2
• Molecular Formula: C19H23NO5
• Molecular Weight: 345.395
• UNII: E9H51OIT2B
• DSSTox Substance ID: DTXSID1043885
• Nikkaji Number: J23.584I
• Wikipedia: WB-4101
• Wikidata: Q21098843
• Pharos Ligand ID: 9QA3FGPQZ9KW
• Metabolomics Workbench ID: 63145
• ChEMBL ID: CHEMBL25554
• Mol file: 613-67-2.mol

Synonyms:(2-(2',6'-dimethoxy)phenoxyethylamino)methylbenzo-1,4-dioxane;(2-(2',6'-dimethoxy)phenoxyethylamino)methylbenzodioxan hydrochloride;WB 4101;WB-4101;WB4101

Chemical Property of (2-(2',6'-Dimethoxy)phenoxyethylamino)methylbenzo-1,4-dioxane

Chemical Property:

• Boiling Point: 472.7 °C at 760 mmHg
• Flash Point: 200 °C
• Density: 1.16 g/cm³
• Storage Temp.: Store at RT
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 345.15762283
• Heavy Atom Count: 25
• Complexity: 371

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=CC=C1)OC)OCCNCC2COC3=CC=CC=C3O2

Technology Process of (2-(2',6'-Dimethoxy)phenoxyethylamino)methylbenzo-1,4-dioxane

There total 3 articles about (2-(2',6'-Dimethoxy)phenoxyethylamino)methylbenzo-1,4-dioxane 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: 63.0%

2,6-dimethoxyphenoxymethylcarboxy N-(1,4-benzodioxane-2-ylmethyl) amide (95110-11-5) → 2-(2,6-dimethoxyphenoxyethyl)aminoethyl-1,4-benzodioxane (613-67-2)

Guidance literature:

With dimethylsulfide borane complex; In diethylene glycol dimethyl ether; at 80 ℃; for 8h;

Reference yield:

(2,3-dihydrobenzo[1,4]dioxin-2-ylmethyl)amine (4442-59-5) → 2-(2,6-dimethoxyphenoxyethyl)aminoethyl-1,4-benzodioxane (613-67-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 83 percent / ethyl chlorocarbonate, Et₃N / CHCl₃ / Ambient temperature

2: 63 percent / BH₃*CH₃SCH₃ / bis-(2-methoxy-ethyl) ether / 8 h / 80 °C

With dimethylsulfide borane complex; chloroformic acid ethyl ester; triethylamine; In chloroform; diethylene glycol dimethyl ether;

Reference yield:

(2,6-dimethoxy-phenoxy)acetic acid (95110-10-4) → 2-(2,6-dimethoxyphenoxyethyl)aminoethyl-1,4-benzodioxane (613-67-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 83 percent / ethyl chlorocarbonate, Et₃N / CHCl₃ / Ambient temperature

2: 63 percent / BH₃*CH₃SCH₃ / bis-(2-methoxy-ethyl) ether / 8 h / 80 °C

With dimethylsulfide borane complex; chloroformic acid ethyl ester; triethylamine; In chloroform; diethylene glycol dimethyl ether;

upstream raw materials:

2,6-dimethoxyphenoxymethylcarboxy N-(1,4-benzodioxane-2-ylmethyl) amide

(2,3-dihydrobenzo[1,4]dioxin-2-ylmethyl)amine

(2,6-dimethoxy-phenoxy)acetic acid

Refernces