1,2-Bis{[(hex-5-yn-1-yl)oxy]methyl}benzene

Base Information

• Chemical Name: 1,2-Bis{[(hex-5-yn-1-yl)oxy]methyl}benzene
• CAS No.: 340276-66-6
• Molecular Formula: C20H26O2
• Molecular Weight: 298.425
• DSSTox Substance ID: DTXSID90573632
• Nikkaji Number: J1.532.535F
• Wikidata: Q82462412
• Mol file: 340276-66-6.mol

Synonyms:340276-66-6;1,2-Bis{[(hex-5-yn-1-yl)oxy]methyl}benzene;DTXSID90573632

Chemical Property of 1,2-Bis{[(hex-5-yn-1-yl)oxy]methyl}benzene

Chemical Property:

• PSA: 18.46000
• LogP: 4.32680
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 298.193280068
• Heavy Atom Count: 22
• Complexity: 320

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CCCCCOCC1=CC=CC=C1COCCCCC#C

Technology Process of 1,2-Bis{[(hex-5-yn-1-yl)oxy]methyl}benzene

There total 1 articles about 1,2-Bis{[(hex-5-yn-1-yl)oxy]methyl}benzene 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: 47.0%

1-chloro-5-hexyne (10297-06-0) + phthalyl alcohol (612-14-6) → 1,2-bis(5-hexynyloxymethyl)benzene (340276-66-6)

Guidance literature:

phthalyl alcohol; With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

1-chloro-5-hexyne; In N,N-dimethyl-formamide; at 20 ℃; for 16h; Further stages.;

DOI:10.1021/ja004049g

Reference yield: 45.0%

phenethyl isocyanate (1943-82-4) + 1,2-bis(5-hexynyloxymethyl)benzene (340276-66-6) → 21-phenethyl-6,15-dioxa-21-aza-tricyclo[18.2.2.08,13]tetracosa-1(23),8(13),9,11,20(24)-pentaen-22-one + 21-phenethyl-6,15-dioxa-21-aza-tricyclo[18.3.1.08,13]tetracosa-1(23),8(13),9,11,20(24)-pentaen-22-one

Guidance literature:

dicarbonylcyclopentadienylcobalt; In 1,2-dimethoxyethane; at 85 ℃; for 24h;

DOI:10.1021/ol030096c

Reference yield: 29.0%

para-methylbenzonitrile (104-85-8) + 1,2-bis(5-hexynyloxymethyl)benzene (340276-66-6) → 22-p-tolyl-6,15-dioxa-21-azatricyclo[18.2.2.08,13]tetracosa-1(22),8,10,12,20,23-hexane + 22-p-tolyl-6,15-dioxa-21-aza-tricyclo[18.2.2.08,13]tetracosa-1(23),8,10,12,20(24),21-hexane

Guidance literature:

With 15percent CpCo(CO)2; In o-xylene; at 140 ℃; visible light irradiation;

DOI:10.1021/ja004049g

upstream raw materials:

1-chloro-5-hexyne

phthalyl alcohol