2-{4-[5-(4-Chlorophenyl)-4-Pyrimidin-4-Yl-1h-Pyrazol-3-Yl]piperidin-1-Yl}-2-Oxoethanol

Base Information

Chemical Name:2-{4-[5-(4-Chlorophenyl)-4-Pyrimidin-4-Yl-1h-Pyrazol-3-Yl]piperidin-1-Yl}-2-Oxoethanol
CAS No.:271576-80-8
Molecular Formula:C20H20ClN5O2
Molecular Weight:397.864
Hs Code.:2924297099
UNII:C57VF8YO91
DSSTox Substance ID:DTXSID60432080
Wikidata:Q27097176
Metabolomics Workbench ID:151096
ChEMBL ID:CHEMBL1090173
Mol file:271576-80-8.mol

Synonyms:SD 0006;SD-0006;SD0006

Suppliers and Price of 2-{4-[5-(4-Chlorophenyl)-4-Pyrimidin-4-Yl-1h-Pyrazol-3-Yl]piperidin-1-Yl}-2-Oxoethanol

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

DC Chemicals
SD-06 >98%
1 g
$ 2500.00

DC Chemicals
SD-06 >98%
100 mg
$ 650.00

DC Chemicals
SD-06 >98%
250 mg
$ 1200.00

CSNpharm
SD-06
1mg
$ 40.00

CSNpharm
SD-06
10mg
$ 150.00

Crysdot
SD-06 98+%
5mg
$ 251.00

ChemScene
SD0006 98.60%
10mg
$ 200.00

ChemScene
SD0006 98.60%
5mg
$ 140.00

ChemScene
SD0006 98.60%
25mg
$ 400.00

ChemScene
SD0006 98.60%
100mg
$ 900.00

Total 16 raw suppliers

Chemical Property of 2-{4-[5-(4-Chlorophenyl)-4-Pyrimidin-4-Yl-1h-Pyrazol-3-Yl]piperidin-1-Yl}-2-Oxoethanol

Chemical Property:

Boiling Point:652.6±55.0 °C(Predicted)
PKA:9.39±0.50(Predicted)
PSA：95.00000
Density:1.367
LogP:2.82330
Storage Temp.:2-8°C
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:397.1305526
Heavy Atom Count:28
Complexity:523

Purity/Quality:

99%, ^*data from raw suppliers

SD-06 >98% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CN(CCC1C2=C(C(=NN2)C3=CC=C(C=C3)Cl)C4=NC=NC=C4)C(=O)CO

Technology Process of 2-{4-[5-(4-Chlorophenyl)-4-Pyrimidin-4-Yl-1h-Pyrazol-3-Yl]piperidin-1-Yl}-2-Oxoethanol

There total 2 articles about 2-{4-[5-(4-Chlorophenyl)-4-Pyrimidin-4-Yl-1h-Pyrazol-3-Yl]piperidin-1-Yl}-2-Oxoethanol 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: 78.0%

: 271576-76-2
4-[3-(4-chlorophenyl)-4-piperidin-4-yl-1H-pyrazol-5-yl]pyrimidine

: 7397-62-8
butyl glycolate

: 271576-80-8,1184301-42-5
2-{4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl}-2-oxoethanol

Guidance literature:: With 1-methyl-pyrrolidin-2-one; 1,8-diazabicyclo[5.4.0]undec-7-ene; at 110 ℃; for 3 - 3.41667h;

Reference yield:

: 271576-76-2
4-[3-(4-chlorophenyl)-4-piperidin-4-yl-1H-pyrazol-5-yl]pyrimidine

: 1113-60-6
3-hydroxy-2-oxopropionic acid

: 271576-80-8,1184301-42-5
2-{4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl}-2-oxoethanol

Guidance literature:: With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In dichloromethane;
DOI:10.1016/j.bmcl.2010.02.047

Reference yield:

: 271576-80-8,1184301-42-5
2-{4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl}-2-oxoethanol

: 2491-06-7
N,N-dimethylglycine hydrochoride

: 635725-13-2
2-{4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl}-2-oxoethyl N,N-dimethylglycinate hydrochloride

Guidance literature:: 2-{4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl}-2-oxoethanol; N,N-dimethylglycine hydrochoride; With triethylamine; In dichloromethane; at 20 ℃;

With hydrogenchloride; In tetrahydrofuran; 1,4-dioxane; at 20 ℃; for 2h;