CID 5207899

Base Information

Chemical Name:CID 5207899
CAS No.:7037-56-1
Molecular Formula:C₁₄H₁₇N
Molecular Weight:199.296
Hs Code.:
DSSTox Substance ID:DTXSID10410010

Synonyms:7037-56-1;AC1NPPE6;DTXSID10410010

Suppliers and Price of CID 5207899

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 CID 5207899

Chemical Property:

Vapor Pressure:4.82E-31mmHg at 25°C
Boiling Point:854°C at 760 mmHg
Flash Point:470.3°C
Density:1.44g/cm³
XLogP3:8.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:11
Exact Mass:679.18107813
Heavy Atom Count:48
Complexity:1160

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=CC7=CC=CC=C76

Technology Process of CID 5207899

There total 8 articles about CID 5207899 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: 95.0%

: 1379452-42-2
2-bromo-2-cyclopentylacetonitrile

: 4294-57-9
para-methylphenylmagnesium bromide

: 7037-56-1
(S)-2-cyclopentyl-2-(p-tolyl)acetonitrile

Guidance literature:: para-methylphenylmagnesium bromide; With zinc dimethoxide; In tetrahydrofuran; at 20 ℃; for 1h; Inert atmosphere;

2-bromo-2-cyclopentylacetonitrile; With (1,2-dimethoxyethane)dichloronickel(II); N,N,N,N,-tetramethylethylenediamine; (4R,4'R)-2,2'-(cyclopentane-1,1-diyl)bis(4-isopropyl-4,5-dihydrooxazole); In tetrahydrofuran; at -78 ℃; for 48h; optical yield given as %ee; enantioselective reaction; Inert atmosphere;
DOI:10.1021/ja303442q

Reference yield: 93.0%

: 1379452-42-2
2-bromo-2-cyclopentylacetonitrile

: 4294-57-9
para-methylphenylmagnesium bromide

: 1379452-64-8,7037-56-1
(R)-2-cyclopentyl-2-(p-tolyl)acetonitrile

Guidance literature:: para-methylphenylmagnesium bromide; With zinc dimethoxide; In tetrahydrofuran; at 20 ℃; for 1h; Inert atmosphere;

2-bromo-2-cyclopentylacetonitrile; With (1,2-dimethoxyethane)dichloronickel(II); N,N,N,N,-tetramethylethylenediamine; (4S,4'S)-2,2'-(cyclopentane-1,1-diyl)bis(4-iso-propyl-4,5-dihydrooxazole); In tetrahydrofuran; at -78 ℃; for 48h; optical yield given as %ee; enantioselective reaction; Inert atmosphere;
DOI:10.1021/ja303442q

Reference yield: 75.0%

: 2947-61-7
(4-methylphenyl)acetonitrile

: 96-41-3
Cyclopentanol

: 7037-56-1
2-cyclopentyl-2-(4-methylphenyl)acetonitrile

Guidance literature:: With potassium tert-butylate; C₃₈H₄₂Ir₂N₄O₂; In neat (no solvent); at 120 ℃; for 1h; Inert atmosphere; Glovebox;
DOI:10.1021/acs.joc.0c02400