1-(Benzyloxy)-3-ethynylbenzene

Base Information

• Chemical Name: 1-(Benzyloxy)-3-ethynylbenzene
• CAS No.: 128133-59-5
• Molecular Formula: C15H12 O
• Molecular Weight: 208.26
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID60598690
• Wikidata: Q82494477
• Mol file: 128133-59-5.mol

Synonyms:1-(benzyloxy)-3-ethynylbenzene;128133-59-5;1-ethynyl-3-phenylmethoxybenzene;Benzene, 1-ethynyl-3-(phenylmethoxy)-;1-Ethynyl-3-(phenylmethoxy)-Benzene;3-benzyloxy-1-ethynylbenzene;3-benzyloxyphenylacetylene;3-Benzyloxylphenylacetylene;SCHEMBL3571506;DTXSID60598690;CNOZVDJTLDNZFR-UHFFFAOYSA-N;1-Ethynyl-3-(phenylmethoxy)benzene;MFCD08703486;AB48497;DS-020463;CS-0433571;A18152;F78817;EN300-1869567;A1-08567

Chemical Property of 1-(Benzyloxy)-3-ethynylbenzene

Chemical Property:

• Vapor Pressure: 0.000217mmHg at 25°C
• Refractive Index: 1.597
• Boiling Point: 336.6°C at 760 mmHg
• Flash Point: 153.8°C
• PSA: 9.23000
• Density: 1.09g/cm³
• LogP: 3.24690
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 208.088815002
• Heavy Atom Count: 16
• Complexity: 243

Purity/Quality:

97% ^*data from raw suppliers

1-(Benzyloxy)-3-ethynylbenzene 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CC1=CC(=CC=C1)OCC2=CC=CC=C2

Technology Process of 1-(Benzyloxy)-3-ethynylbenzene

There total 7 articles about 1-(Benzyloxy)-3-ethynylbenzene 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: 84.0%

3-hydroxy phenylacetylene (10401-11-3) + benzyl bromide (100-39-0) → 1-ethynyl-3-(phenylmethoxy)benzene (128133-59-5)

Guidance literature:

3-hydroxy phenylacetylene; With potassium carbonate; In acetone; for 0.25h; Reflux;

benzyl bromide; With potassium iodide; In acetone; Reflux;

DOI:10.1021/jm901273n

Reference yield: 57.0%

3-hydroxy phenylacetylene (10401-11-3) + benzyl chloride (100-44-7) → 1-ethynyl-3-(phenylmethoxy)benzene (128133-59-5)

Guidance literature:

With potassium carbonate; In acetonitrile; at 80 ℃; for 6h;

DOI:10.1021/acsmedchemlett.6b00146

Reference yield:

C15H13FO4S → 1-ethynyl-3-(phenylmethoxy)benzene (128133-59-5)

Guidance literature:

With cesium fluoride; In dimethyl sulfoxide; at 100 ℃; for 2h;

DOI:10.1021/jacs.8b10069

upstream raw materials:

3-hydroxy phenylacetylene

benzyl bromide

benzyl chloride

2-[(3-(benzyloxy)phenyl)]ethan-1-ol

Downstream raw materials:

5-[3-[(phenyl)methoxy]phenyl]-3-isoxazolecarboxylic acid ethyl ester

(E)-2-(3-(benzyloxy)styryl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane