4-(2,3-Dihydrobenzo[1,4]dioxin-6-YL)benzyl alcohol

Base Information

• Chemical Name: 4-(2,3-Dihydrobenzo[1,4]dioxin-6-YL)benzyl alcohol
• CAS No.: 893739-01-0
• Molecular Formula: C₁₆H₁₃NO
• Molecular Weight: 235.285
• DSSTox Substance ID: DTXSID30699082
• Wikidata: Q82629795
• Mol file: 893739-01-0.mol

Synonyms:893739-01-0;4-(2,3-DIHYDROBENZO[1,4]DIOXIN-6-YL)BENZYL ALCOHOL;[4-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]methanol;Benzenemethanol,4-(3-quinolinyl)-;DTXSID30699082;4-(QUINOLIN-3-YL)BENZYL ALCOHOL

Chemical Property of 4-(2,3-Dihydrobenzo[1,4]dioxin-6-YL)benzyl alcohol

Chemical Property:

• PSA: 38.69000
• LogP: 2.61710
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 242.094294304
• Heavy Atom Count: 18
• Complexity: 261

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC2=C(O1)C=CC(=C2)C3=CC=C(C=C3)CO

Technology Process of 4-(2,3-Dihydrobenzo[1,4]dioxin-6-YL)benzyl alcohol

There total 2 articles about 4-(2,3-Dihydrobenzo[1,4]dioxin-6-YL)benzyl 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:

4-bromobenzenemethanol (873-75-6) + quinolin-3-ylboronic acid (191162-39-7) → 3-(4-hydroxymethylphenyl)quinoline (893739-01-0)

Guidance literature:

With tetra-butylammonium acetate; Pd EnCat-30^TM; In ethanol; for 0.25h; microwave irradiation;

DOI:10.1002/chem.200501400

Reference yield:

3-bromoquinoline (5332-24-1) + p-hydroxymethylphenylboronic acid (59016-93-2) → 3-(4-hydroxymethylphenyl)quinoline (893739-01-0)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In ethanol; water; at 90 ℃;

DOI:10.1002/ardp.200700261

Reference yield:

3-(4-hydroxymethylphenyl)quinoline (893739-01-0) + 4-(pyrimidin-5-yl)benzoic acid chloride → 4-(quinolin-3-yl)benzyl 4-(pyrimidin-5-yl)benzoate (1071925-56-8)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃;

DOI:10.1002/ardp.200700261

upstream raw materials:

4-bromobenzenemethanol

quinolin-3-ylboronic acid

3-bromoquinoline

p-hydroxymethylphenylboronic acid

Downstream raw materials:

4-(quinolin-3-yl)benzyl 4-(pyrimidin-5-yl)benzoate