5-Boc-3-oxo-2-phenyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine

Base Information

Chemical Name:5-Boc-3-oxo-2-phenyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CAS No.:348640-92-6
Molecular Formula:C15H11N3O2S
Molecular Weight:297.337
Hs Code.:2933990090
DSSTox Substance ID:DTXSID30404613
Mol file:348640-92-6.mol

Synonyms:5-Boc-3-oxo-2-phenyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine;DTXSID30404613

Suppliers and Price of 5-Boc-3-oxo-2-phenyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine

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-[(4-METHYLPHENYL)SULFONYL]-1H-PYRROLO[2,3-B]PYRIDINE-4-CARBONITRILE 95.00%
5MG
$ 500.72

Total 1 raw suppliers

Chemical Property of 5-Boc-3-oxo-2-phenyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:471.797°C at 760 mmHg
PKA:-3.07±0.30(Predicted)
Flash Point:239.134°C
PSA：84.13000
Density:1.35g/cm³
LogP:3.53418
XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:315.15829154
Heavy Atom Count:23
Complexity:518

Purity/Quality:: 1-[(4-METHYLPHENYL)SULFONYL]-1H-PYRROLO[2,3-B]PYRIDINE-4-CARBONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)N1CCC2=NN(C(=O)C2C1)C3=CC=CC=C3

Technology Process of 5-Boc-3-oxo-2-phenyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine

There total 2 articles about 5-Boc-3-oxo-2-phenyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine 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:

: 348640-05-1
4-chloro-1-p-toluenesulfonyl-1H-pyrrolo[2,3-b]pyridine

: 557-21-1
zinc(II) cyanide

: 348640-92-6
1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile

Guidance literature:: 4-chloro-1-p-toluenesulfonyl-1H-pyrrolo[2,3-b]pyridine; zinc(II) cyanide; With zinc; In N,N-dimethyl acetamide; at 20 ℃; for 0.75h;

(1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In N,N-dimethyl acetamide; at 140 ℃; for 1.5h;

Reference yield:

: 1-(2,6-dimethyl-1,4-dihydropyridin-4-one)-1H-pyrrolo[2,3-b]pyridinium tetrafluoroborate

: 151-50-8
potassium cyanide

: 98-59-9
p-toluenesulfonyl chloride

: 344327-11-3
1H-pyrrolo[2,3-b]pyridine-4-carbonitrile

: 348640-92-6
1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile

Guidance literature:: 1-(2,6-dimethyl-1,4-dihydropyridin-4-one)-1H-pyrrolo[2,3-b]pyridinium tetrafluoroborate; potassium cyanide; In water; at 20 ℃; for 48h;

p-toluenesulfonyl chloride; With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate; In water; toluene; at 20 ℃; for 72h;

Reference yield:

: 348640-92-6
1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile

: 1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxaldehyde

Guidance literature:: 1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile; With diisobutylaluminium hydride; In toluene; at -30 - 20 ℃; for 1.66667h;

With hydrogenchloride; water; In toluene; at 4 ℃; pH=6;