1-(3-Chloropyridin-4-yl)pentane-1,4-dione

Base Information

Chemical Name:1-(3-Chloropyridin-4-yl)pentane-1,4-dione
CAS No.:898785-30-3
Molecular Formula:C10H10ClNO2
Molecular Weight:211.648
Hs Code.:
DSSTox Substance ID:DTXSID20699697
Wikidata:Q82630711
Mol file:898785-30-3.mol

Synonyms:1-(3-chloropyridin-4-yl)pentane-1,4-dione;898785-30-3;DTXSID20699697

Suppliers and Price of 1-(3-Chloropyridin-4-yl)pentane-1,4-dione

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

American Custom Chemicals Corporation
1-(3-CHLORO-4-PYRIDYL)-1,4-PENTANEDIONE 95.00%
5MG
$ 501.07

Total 1 raw suppliers

Chemical Property of 1-(3-Chloropyridin-4-yl)pentane-1,4-dione

Chemical Property:

Vapor Pressure:9.19E-06mmHg at 25°C
Boiling Point:373.1°C at 760 mmHg
Flash Point:179.4°C
PSA：47.03000
Density:1.224g/cm³
LogP:2.28690
XLogP3:0.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:211.0400063
Heavy Atom Count:14
Complexity:230

Purity/Quality:: 1-(3-CHLORO-4-PYRIDYL)-1,4-PENTANEDIONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)CCC(=O)C1=C(C=NC=C1)Cl

Technology Process of 1-(3-Chloropyridin-4-yl)pentane-1,4-dione

There total 1 articles about 1-(3-Chloropyridin-4-yl)pentane-1,4-dione 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: 44.0%

: 78-94-4,25038-87-3
methyl vinyl ketone

: 101066-61-9
2-chloropyridine-4-carbaldehyde

: 898785-30-3
1-(2-chloropyridin-4-yl)pentane-1,4-dione

Guidance literature:: With 3-ethyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazolium bromide; triethylamine; In ethanol; at 85 ℃; for 18.5h;

Reference yield: 57.0%

: 898785-30-3
1-(2-chloropyridin-4-yl)pentane-1,4-dione

: 2462-31-9
benzyl 2-aminoacetate hydrochloride

: 1312717-81-9
benzyl 2-(2-(2-chloropyridin-4-yl)-5-methyl-1H-pyrrol-1-yl)acetate

Guidance literature:: With sodium hydrogencarbonate; In dichloromethane; at 45 - 65 ℃; for 278h;

Reference yield:

: 898785-30-3
1-(2-chloropyridin-4-yl)pentane-1,4-dione

: 1312717-27-3
2-(5-(2-chloropyridin-4-yl)-2-methyl-3-(2-(phenylsulfonyl)benzyl)-1H-pyrrol-1-yl)acetic acid

Guidance literature:: Multi-step reaction with 3 steps

1.1: sodium hydrogencarbonate / dichloromethane / 278 h / 45 - 65 °C

2.1: trimethylsilyl trifluoromethanesulfonate; triethylsilane / dichloromethane / 0.17 h / -78 °C

2.2: -78 - 20 °C

3.1: sodium hydroxide / water; tetrahydrofuran / 0.33 h / 20 °C

With triethylsilane; trimethylsilyl trifluoromethanesulfonate; sodium hydrogencarbonate; sodium hydroxide; In tetrahydrofuran; dichloromethane; water;