Prop-2-ynyl nicotinate

Base Information

Chemical Name:Prop-2-ynyl nicotinate
CAS No.:24641-06-3
Molecular Formula:C9H7NO2
Molecular Weight:161.16
Hs Code.:2933399090
DSSTox Substance ID:DTXSID60381625
Nikkaji Number:J2.939.262E
Wikidata:Q82172553
Mol file:24641-06-3.mol

Synonyms:Prop-2-ynyl nicotinate;24641-06-3;prop-2-ynyl pyridine-3-carboxylate;Prop-2-yn-1-yl nicotinate;prop-2-yn-1-yl pyridine-3-carboxylate;propargyl nicotinate;Prop-2-yn-1-ylnicotinate;DTXSID60381625;AKOS026675732;TS-02143;Pyridine-3-carboxylic acid propargyl ester

Suppliers and Price of Prop-2-ynyl nicotinate

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
Prop-2-ynylnicotinate
1g
$ 386.00

Atlantic Research Chemicals
Prop-2-ynylnicotinate 95%
1gm:
$ 95.43

Crysdot
Prop-2-yn-1-ylnicotinate 97%
5g
$ 517.00

Matrix Scientific
Prop-2-ynyl nicotinate 97%
1g
$ 249.00

Total 4 raw suppliers

Chemical Property of Prop-2-ynyl nicotinate

Chemical Property:

Melting Point:26-28 °C
Boiling Point:110-112 °C(Press: 4 Torr)
PKA:2.96±0.10(Predicted)
PSA：39.19000
Density:1.173±0.06 g/cm3(Predicted)
LogP:0.87160
XLogP3:1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:161.047678466
Heavy Atom Count:12
Complexity:204

Purity/Quality:

95% ^*data from raw suppliers

Prop-2-ynylnicotinate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C#CCOC(=O)C1=CN=CC=C1

Technology Process of Prop-2-ynyl nicotinate

There total 2 articles about Prop-2-ynyl nicotinate 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: 72.0%

: 59-67-6
nicotinic acid

: 107-19-7
propargyl alcohol

: 24641-06-3
prop-2-yn-1-yl nicotinate

Guidance literature:: With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃; for 24h; Inert atmosphere;
DOI:10.1016/j.bmcl.2019.126846

Reference yield:

: 24641-06-3
prop-2-yn-1-yl nicotinate

Guidance literature:: Nicotinoylchlorid*HCl, Propargylalkohol;
DOI:10.1007/BF00470270

Reference yield: 94.0%

: 24641-06-3
prop-2-yn-1-yl nicotinate

: 17201-43-3
4-cyanobenzyl bromide

: (1-(4-cyanobenzyl)-1H-1,2,3-triazol-4-yl)methyl nicotinate

Guidance literature:: With sodium azide; copper(ll) sulfate pentahydrate; sodium L-ascorbate; In water; tert-butyl alcohol; at 20 ℃; for 16h;
DOI:10.1016/j.bmcl.2019.126846