Nicotinic acid sec-butyl ester

Base Information

Chemical Name:Nicotinic acid sec-butyl ester
CAS No.:102014-92-6
Molecular Formula:C₁₀H₁₃NO₂
Molecular Weight:179.219
Hs Code.:
DSSTox Substance ID:DTXSID501030174
Nikkaji Number:J192.736A

Synonyms:sec-Butyl nicotinate;Nicotinic acid sec-butyl ester;SCHEMBL13767683;DTXSID501030174;102014-92-6

Suppliers and Price of Nicotinic acid sec-butyl ester

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 0 raw suppliers

Chemical Property of Nicotinic acid sec-butyl ester

Chemical Property:

Vapor Pressure:0.0279mmHg at 25°C
XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:179.094628657
Heavy Atom Count:13
Complexity:170

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCC(C)OC(=O)C1=CN=CC=C1

Technology Process of Nicotinic acid sec-butyl ester

There total 13 articles about Nicotinic acid sec-butyl ester 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: 51.0%

: 10400-19-8
3-pyridinecarbonyl chloride

: 78-92-2,15892-23-6
iso-butanol

: 102014-92-6
(+/-)-Nicotinsaeure-sec-butylester]

Guidance literature:: With dmap; triethylamine; In dichloromethane; at -78 - 50 ℃;
DOI:10.1039/b919394d

Reference yield:

: 59-67-6
nicotinic acid

: 78-92-2,15892-23-6
iso-butanol

: 102014-92-6
(+/-)-Nicotinsaeure-sec-butylester]

Guidance literature:: With dmap; 2-chloro-1-methyl-pyridinium iodide; triethylamine; In dichloromethane;
DOI:10.3987/COM-18-S(T)17

Reference yield:

: 59-67-6
nicotinic acid

: 102014-92-6
(+/-)-Nicotinsaeure-sec-butylester]

Guidance literature:: With pyridine; thionyl chloride; Erhitzen des Reaktionsgemisches auf 100grad und anschliessend mit (+-)-sec-Butylalkohol;
DOI:10.1039/jr9570002531