1-(4-Fluorophenyl)prop-2-yn-1-amine

Base Information

Chemical Name:1-(4-Fluorophenyl)prop-2-yn-1-amine
CAS No.:226698-96-0
Molecular Formula:C9H8 F N
Molecular Weight:149.168
Hs Code.:
DSSTox Substance ID:DTXSID50572424
Nikkaji Number:J1.672.431I
Mol file:226698-96-0.mol

Synonyms:1-(4-fluorophenyl)prop-2-yn-1-amine;226698-96-0;Benzenemethanamine, alpha-ethynyl-4-fluoro- (9CI);DTXSID50572424;AKOS006337906;EN300-219198

Suppliers and Price of 1-(4-Fluorophenyl)prop-2-yn-1-amine

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

TRC
1-(4-fluorophenyl)prop-2-yn-1-amine
50mg
$ 200.00

Crysdot
1-(4-Fluorophenyl)prop-2-yn-1-amine 97%
10g
$ 2108.00

Crysdot
1-(4-Fluorophenyl)prop-2-yn-1-amine 97%
5g
$ 1558.00

Crysdot
1-(4-Fluorophenyl)prop-2-yn-1-amine 97%
1g
$ 713.00

Total 2 raw suppliers

Chemical Property of 1-(4-Fluorophenyl)prop-2-yn-1-amine

Chemical Property:

Boiling Point:211.9±25.0 °C(Predicted)
PKA:7.09±0.10(Predicted)
PSA：26.02000
Density:1.137±0.06 g/cm3(Predicted)
LogP:2.15900
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:149.064077422
Heavy Atom Count:11
Complexity:162

Purity/Quality:

95% ^*data from raw suppliers

1-(4-fluorophenyl)prop-2-yn-1-amine ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 1-(4-Fluorophenyl)prop-2-yn-1-amine

There total 3 articles about 1-(4-Fluorophenyl)prop-2-yn-1-amine 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: 63.0%

: 226698-91-5
(+/-)-N-[1-(4-fluorophenyl)-2-propynyl]acetamide

: 226698-96-0
(+/-)-1-(4-fluorophenyl)-2-propynylamine

Guidance literature:: With hydrogenchloride; In water; at 70 ℃; for 12h;
DOI:10.1021/jo982513i

Reference yield:

: 3798-61-6,179249-16-2
1-(4-fluorophenyl)prop-2-yn-1-ol

: 226698-96-0
(+/-)-1-(4-fluorophenyl)-2-propynylamine

Guidance literature:: Multi-step reaction with 2 steps

1: sulfuric acid / 20 °C

2: HCl / 70 °C

With hydrogenchloride; sulfuric acid; 1: Ritter reaction;
DOI:10.1016/j.tetasy.2007.06.007

Reference yield:

: 459-57-4
4-fluorobenzaldehyde

: 226698-96-0
(+/-)-1-(4-fluorophenyl)-2-propynylamine

Guidance literature:: Multi-step reaction with 3 steps

1: tetrahydrofuran / 2 h / 20 °C

2: sulfuric acid / 20 °C

3: HCl / 70 °C

With hydrogenchloride; sulfuric acid; In tetrahydrofuran; 2: Ritter reaction;
DOI:10.1016/j.tetasy.2007.06.007