4-((4-Ethynylphenyl)ethynyl)aniline

Base Information

Chemical Name:4-((4-Ethynylphenyl)ethynyl)aniline
CAS No.:183022-66-4
Molecular Formula:C16H11N
Molecular Weight:217.27
Hs Code.:
DSSTox Substance ID:DTXSID00514273
Nikkaji Number:J856.621F
Wikidata:Q82374495
Mol file:183022-66-4.mol

Synonyms:4-((4-Ethynylphenyl)ethynyl)aniline;183022-66-4;4-((4-ethynylphenyl)ethynyl)benzenamine;4-[2-(4-ETHYNYLPHENYL)ETHYNYL]ANILINE;4-[(4-Ethynylphenyl)ethynyl]aniline;SCHEMBL1754885;DTXSID00514273;AKOS016003925

Suppliers and Price of 4-((4-Ethynylphenyl)ethynyl)aniline

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

AK Scientific
4-((4-Ethynylphenyl)ethynyl)aniline
250mg
$ 1051.00

Alichem
4-((4-Ethynylphenyl)ethynyl)aniline
1g
$ 678.24

American Custom Chemicals Corporation
4-((4-ETHYNYLPHENYL)ETHYNYL)ANILINE 95.00%
5MG
$ 502.58

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

Matrix Scientific
4-((4-Ethynylphenyl)ethynyl)aniline 95+%
250mg
$ 742.00

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

Total 2 raw suppliers

Chemical Property of 4-((4-Ethynylphenyl)ethynyl)aniline

Chemical Property:

Boiling Point:388.8±27.0 °C(Predicted)
PKA:3.62±0.10(Predicted)
PSA：26.02000
Density:1.16±0.1 g/cm3(Predicted)
LogP:3.23110
Storage Temp.:2-8°C
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:217.089149355
Heavy Atom Count:17
Complexity:345

Purity/Quality:: 4-((4-Ethynylphenyl)ethynyl)aniline ^*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)C#CC2=CC=C(C=C2)N

Technology Process of 4-((4-Ethynylphenyl)ethynyl)aniline

There total 7 articles about 4-((4-Ethynylphenyl)ethynyl)aniline 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: 94.0%

: 176977-39-2
1-trimethylsilylethynyl-4-((4-aminophenyl)-ethynyl)benzene

: 183022-66-4
1-ethynyl-4-((4-aminophenyl)-ethynyl)benzene

Guidance literature:: With sodium hydroxide; In tetrahydrofuran; ethanol; for 0.5h;
DOI:10.1016/S0040-4020(97)00451-1

Reference yield: 86.0%

: 14235-81-5
4-Ethynylaniline

: 134856-58-9
1-iodo-4-(trimethylsilylethynyl)benzene

: 183022-66-4
1-ethynyl-4-((4-aminophenyl)-ethynyl)benzene

Guidance literature:: 4-Ethynylaniline; 1-iodo-4-(trimethylsilylethynyl)benzene; With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In tetrahydrofuran;

With potassium carbonate; In methanol; dichloromethane;
DOI:10.1021/ma035503e

Reference yield:

: 134856-58-9
1-iodo-4-(trimethylsilylethynyl)benzene

: 183022-66-4
1-ethynyl-4-((4-aminophenyl)-ethynyl)benzene

Guidance literature:: Multi-step reaction with 2 steps

1: CuI; Et₃N / PdCl₂(PPh₃)2 / tetrahydrofuran

2: K₂CO₃ / methanol; CH₂Cl₂

With copper(l) iodide; potassium carbonate; triethylamine; bis-triphenylphosphine-palladium(II) chloride; In tetrahydrofuran; methanol; dichloromethane;
DOI:10.1039/b506463e