1-(2-Chloropyridine-4-carbonyl)-L-proline

Base Information

Chemical Name:1-(2-Chloropyridine-4-carbonyl)-L-proline
CAS No.:123412-45-3
Molecular Formula:C₁₁H₁₁ClN₂O₃
Molecular Weight:254.673
Hs Code.:
DSSTox Substance ID:DTXSID30562328
Wikidata:Q82446434
Mol file:123412-45-3.mol

Synonyms:123412-45-3;N-(2-Chloropyridine-4-carbonyl)-L-proline;1-(2-Chloropyridine-4-carbonyl)-L-proline;(2S)-1-(2-chloropyridine-4-carbonyl)pyrrolidine-2-carboxylic acid;(S)-1-(2-Chloroisonicotinoyl)pyrrolidine-2-carboxylic acid;DTXSID30562328

Suppliers and Price of 1-(2-Chloropyridine-4-carbonyl)-L-proline

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
N-(2-CHLOROPYRIDINE-4-CARBONYL)-L-PROLINE 95.00%
5MG
$ 505.85

Total 1 raw suppliers

Chemical Property of 1-(2-Chloropyridine-4-carbonyl)-L-proline

Chemical Property:

Vapor Pressure:5.07E-11mmHg at 25°C
Melting Point:129-131 °C
Refractive Index:1.614
Boiling Point:505°Cat760mmHg
PKA:3.14±0.20(Predicted)
Flash Point:259.2°C
PSA：70.50000
Density:1.461g/cm³
LogP:1.36210
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:254.0458199
Heavy Atom Count:17
Complexity:324

Purity/Quality:: N-(2-CHLOROPYRIDINE-4-CARBONYL)-L-PROLINE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC(N(C1)C(=O)C2=CC(=NC=C2)Cl)C(=O)O
Isomeric SMILES:C1C[C@H](N(C1)C(=O)C2=CC(=NC=C2)Cl)C(=O)O

Technology Process of 1-(2-Chloropyridine-4-carbonyl)-L-proline

There total 3 articles about 1-(2-Chloropyridine-4-carbonyl)-L-proline 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: 94.0%

: 65287-34-5
2-chloropyridine-4-carbonyl chloride

: 147-85-3,25191-13-3,37159-97-0,4305-67-3,4607-28-7
L-proline

: 123412-45-3
N-<(2-chloropyridin-4-yl)carbonyl>pyrrolidine-2-carboxylic acid

Guidance literature:: With sodium hydroxide; sodium hydrogencarbonate; In water; acetone; 1.) 0 deg C, 2 h, 2.) RT, 1 h;
DOI:10.1021/jm00168a021

Reference yield:

: 6313-54-8
2-chloroisonicotinic acid,

: 123412-45-3
N-<(2-chloropyridin-4-yl)carbonyl>pyrrolidine-2-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 83 percent / thionyl chloride

2: 94 percent / NaOH, NaHCO₃ / acetone; H₂O / 1.) 0 deg C, 2 h, 2.) RT, 1 h

With sodium hydroxide; thionyl chloride; sodium hydrogencarbonate; In water; acetone;
DOI:10.1021/jm00168a021

Reference yield:

: 13602-12-5
Isonicotinic acid N-oxide

: 123412-45-3
N-<(2-chloropyridin-4-yl)carbonyl>pyrrolidine-2-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 73 percent / phosphorus oxychloride / 7 h / Heating

2: 83 percent / thionyl chloride

3: 94 percent / NaOH, NaHCO₃ / acetone; H₂O / 1.) 0 deg C, 2 h, 2.) RT, 1 h

With sodium hydroxide; thionyl chloride; sodium hydrogencarbonate; trichlorophosphate; In water; acetone;
DOI:10.1021/jm00168a021