1-(4-Ethynylphenyl)adamantane

Base Information

Chemical Name:1-(4-Ethynylphenyl)adamantane
CAS No.:219831-45-5
Molecular Formula:C18H20
Molecular Weight:236.3514
Hs Code.:
DSSTox Substance ID:DTXSID60469932
Wikidata:Q82297861
Mol file:219831-45-5.mol

Synonyms:1-(4-ethynylphenyl)adamantane;219831-45-5;4-Adamantyl-ethynylbenzene;DTXSID60469932;1,2-(1-Adamantyl)-phenylacetylen;AKOS016003956

Suppliers and Price of 1-(4-Ethynylphenyl)adamantane

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Matrix Scientific
1-(4-Ethynylphenyl)adamantane 95+%
1g
$ 1647.00

Crysdot
1-(4-Ethynylphenyl)adamantane 95+%
1g
$ 772.00

Chemenu
1-(4-Ethynylphenyl)adamantane 95%
1g
$ 729.00

American Custom Chemicals Corporation
1-(4-ETHYNYLPHENYL)ADAMANTANE 95.00%
5MG
$ 504.69

Alichem
1-(4-Ethynylphenyl)adamantane
1g
$ 646.84

AK Scientific
1-(4-Ethynylphenyl)adamantane
1g
$ 2273.00

Total 2 raw suppliers

Chemical Property of 1-(4-Ethynylphenyl)adamantane

Chemical Property:

PSA：0.00000
LogP:4.13570
Storage Temp.:2-8°C
XLogP3:5.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:2
Exact Mass:236.156500638
Heavy Atom Count:18
Complexity:333

Purity/Quality:: 1-(4-Ethynylphenyl)adamantane 95+% ^*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)C23CC4CC(C2)CC(C4)C3

Technology Process of 1-(4-Ethynylphenyl)adamantane

There total 3 articles about 1-(4-Ethynylphenyl)adamantane 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: 77.0%

: 885324-88-9
1-[4-(3-hydroxy-3-methylbutyn-1-yl)phenyl]adamantane

: 219831-45-5
1-(4-ethynylphenyl)adamantane

Guidance literature:: With potassium hydroxide; 18-crown-6 ether; In benzene; for 0.166667h; Heating;
DOI:10.1039/b516804j

Reference yield:

: 29799-07-3
4-adamantylphenol

: 219831-45-5
1-(4-ethynylphenyl)adamantane

Guidance literature:: Multi-step reaction with 3 steps

1: 99 percent / Et₃N / CH₂Cl₂ / 0.5 h / cooling

2: 75 percent / CuI; Et₃N / Pd(PPh₃)4 / dimethylformamide / 24 h / 20 °C

3: 77 percent / KOH; 18-crown-6 / benzene / 0.17 h / Heating

With potassium hydroxide; copper(l) iodide; 18-crown-6 ether; triethylamine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In dichloromethane; N,N-dimethyl-formamide; benzene;
DOI:10.1039/b516804j

Reference yield:

: 263398-16-9
4-(adamantane-1-yl)phenyl trifluoromethanesulfonate

: 219831-45-5
1-(4-ethynylphenyl)adamantane

Guidance literature:: Multi-step reaction with 2 steps

1: 75 percent / CuI; Et₃N / Pd(PPh₃)4 / dimethylformamide / 24 h / 20 °C

2: 77 percent / KOH; 18-crown-6 / benzene / 0.17 h / Heating

With potassium hydroxide; copper(l) iodide; 18-crown-6 ether; triethylamine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In N,N-dimethyl-formamide; benzene;
DOI:10.1039/b516804j