4'-Benzyloxyphenyl acetylene

Base Information

• Chemical Name: 4'-Benzyloxyphenyl acetylene
• CAS No.: 84284-70-8
• Molecular Formula: C15H12O
• Molecular Weight: 208.26
• Hs Code.: 2909309090
• European Community (EC) Number: 675-981-7
• DSSTox Substance ID: DTXSID20363422
• Nikkaji Number: J2.695.408H
• Wikidata: Q72442470
• Mol file: 84284-70-8.mol

Synonyms:4'-Benzyloxyphenyl acetylene;84284-70-8;1-(benzyloxy)-4-ethynylbenzene;1-ethynyl-4-phenylmethoxybenzene;1-benzyloxy-4-ethynyl-benzene;4-benzyloxyphenyl acetylene;BENZENE, 1-ETHYNYL-4-(PHENYLMETHOXY)-;MFCD01814885;4'-Benzyloxyphenylacetylene;4-benzyloxy phenyl acetylene;1-benzyloxy-4-ethynylbenzene;1-ethynyl-4-benzyloxybenzene;4\'-Benzyloxyphenyl acetylene;SCHEMBL227697;1-ethynyl-4-benzyloxy benzene;[4-(Benzyloxy)phenyl]acetylene;4-BENZYLOXYPHENYLACETYLENE;DTXSID20363422;1-Ethynyl-4-(phenylmethoxy)benzene;4-Ethynyl-1-(phenylmethoxy)benzene;BENZYL 4-ETHYNYLPHENYL ETHER;AKOS005081001;AB09942;1-ethynyl-4-benzyloxy benzene, AldrichCPR;CS-0158561;FT-0647285;EN300-1865037;12N-249;Q-102445

Chemical Property of 4'-Benzyloxyphenyl acetylene

Chemical Property:

• Vapor Pressure: 0.000361mmHg at 25°C
• Melting Point: 260 °C
• Refractive Index: 1.597
• Boiling Point: 328.5 °C at 760 mmHg
• Flash Point: 148.7 °C
• PSA: 9.23000
• Density: 1.09 g/cm³
• LogP: 3.24690
• Storage Temp.: 2-8°C
• 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: 235

Purity/Quality:

98%min ^*data from raw suppliers

4''-BenzyloxyphenylAcetylene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4'-Benzyloxyphenyl acetylene

There total 21 articles about 4'-Benzyloxyphenyl acetylene 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: 99.0%

2-[4-(benzyloxy)phenyl]-1-ethynyl(trimethyl)silane (340322-86-3) → [4-(benzyloxy)phenyl]acetylene (84284-70-8)

Guidance literature:

With lithium hydrochloride monohydrate; In tetrahydrofuran; water;

DOI:10.1002/cmdc.201000112

Reference yield: 96.1%

C18H18O2 (152915-78-1) → [4-(benzyloxy)phenyl]acetylene (84284-70-8)

Guidance literature:

With sodium hydroxide; In isopropyl alcohol; for 3h; Reflux;

DOI:10.1002/pola.24625

Reference yield: 95.5%

2-(4-Benzyloxyphenyl)-1,1-dibromoethylene (114943-73-6) → [4-(benzyloxy)phenyl]acetylene (84284-70-8)

Guidance literature:

With ethylmagnesium bromide; In tetrahydrofuran; at 0 - 20 ℃; for 0.5h;

DOI:10.1016/j.bmcl.2009.03.061

upstream raw materials:

p-benzyloxyphenyl dichloroethylene

2-[4-(benzyloxy)phenyl]-1-ethynyl(trimethyl)silane

p-Iodophenol

4-(4-benzyloxyphenyl) iodide

Downstream raw materials:

C₂₉H₂₄O₅S

4-(4-(benzyloxy)phenyl)-1,2,3-triazole

(3S,5S)-1-[4-(benzyloxy)phenyl]-5-tert-butyldiphenylsilanyloxy-1,7-phenylhept-1-yn-3-ol

(3R,5S)-1-[4-(benzyloxy)phenyl]-5-tert-butyldiphenylsilanyloxy-1,7-phenylhept-1-yn-3-ol

Refernces

• 1、 Rao, Maddali L.N.,Shamim Islam, Sk. "Synthesis of alkynes under dry reaction conditions". supporting information. . Retrieved 2021/04/19.
• 2、 Chinta, Bhavani Shankar,Baire, Beeraiah. "First Synthesis of the [5-5-6-6] Tetracyclic Framework of Spiropreussione B". . p. 3457 - 3460. Retrieved 2017/07/05.