2-Ethynyl-4-fluoroaniline

Base Information

Chemical Name:2-Ethynyl-4-fluoroaniline
CAS No.:887903-03-9
Molecular Formula:C₈H₆FN
Molecular Weight:135.141
Hs Code.:
European Community (EC) Number:850-656-4
Nikkaji Number:J2.322.374K

Synonyms:2-ethynyl-4-fluoroaniline;887903-03-9;2-Amino-5-fluorophenylacetylene;MFCD11656146;SCHEMBL22134762;AC7120;AKOS006344301;2-Ethynyl-4-fluoroaniline, AldrichCPR;FS-6229;SY248625;CS-0158808;EN300-2970694

Suppliers and Price of 2-Ethynyl-4-fluoroaniline

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

Total 4 raw suppliers

Chemical Property of 2-Ethynyl-4-fluoroaniline

Chemical Property:

XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:135.048427358
Heavy Atom Count:10
Complexity:158

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C#CC1=C(C=CC(=C1)F)N

Technology Process of 2-Ethynyl-4-fluoroaniline

There total 4 articles about 2-Ethynyl-4-fluoroaniline 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: 49.0%

: 61272-76-2
4-fluoro-2-iodoaniline

: 1066-54-2
trimethylsilylacetylene

: 887903-03-9
4-fluoro-2-ethynylaniline

Guidance literature:: With copper(l) iodide; trans-bis(triphenylphosphine)palladium dichloride; diethylamine; at 20 ℃; Inert atmosphere;
DOI:10.1021/ol203360g

Reference yield:

: 61272-76-2
4-fluoro-2-iodoaniline

: 887903-03-9
4-fluoro-2-ethynylaniline

Guidance literature:: Multi-step reaction with 2 steps

1: 65 percent / CuI; piperidine / PdCl₂(PPh₃)2 / 20 °C

2: 85 percent / potassium hydroxide / methanol; H₂O / 20 °C

With piperidine; potassium hydroxide; copper(l) iodide; bis-triphenylphosphine-palladium(II) chloride; In methanol; water; 1: Sonogashira coupling;
DOI:10.1021/jo060245f

Reference yield:

: 1003-98-1
2-bromo-4-fluoroaniline

: 887903-03-9
4-fluoro-2-ethynylaniline

Guidance literature:: Multi-step reaction with 2 steps

1: bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine / 20 °C / Inert atmosphere; Sealed tube

2: potassium carbonate / methanol / 20 °C

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; potassium carbonate; triethylamine; In methanol;
DOI:10.1021/acs.orglett.9b03727