Fenpiprane

Base Information

• Chemical Name: Fenpiprane
• CAS No.: 3540-95-2
• Molecular Formula: C20H25 N
• Molecular Weight: 279.425
• Hs Code.: 2933399090
• UNII: S2FVB1RL5X
• DSSTox Substance ID: DTXSID10188883
• Nikkaji Number: J7.959F
• Wikipedia: Fenpiprane
• Wikidata: Q5443568
• NCI Thesaurus Code: C73174
• Metabolomics Workbench ID: 154249
• ChEMBL ID: CHEMBL49943
• Mol file: 3540-95-2.mol

Synonyms:fenpiprane

Chemical Property of Fenpiprane

Chemical Property:

• Vapor Pressure: 4.86E-07mmHg at 25°C
• Melting Point: 41-42.5°
• Refractive Index: 1.7500 (estimate)
• Boiling Point: 413.3°Cat760mmHg
• PKA: pKa 8.96(H2O,t =20.0,I=0.013) (Uncertain)
• Flash Point: 181.4°C
• PSA: 3.24000
• Density: 1.011g/cm³
• LogP: 4.63240
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 279.198699802
• Heavy Atom Count: 21
• Complexity: 252

Purity/Quality:

99% ^*data from raw suppliers

FENPIPRANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)CCC(C2=CC=CC=C2)C3=CC=CC=C3

Technology Process of Fenpiprane

There total 33 articles about Fenpiprane 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: 99.0%

(E)-1-(3-phenylallyl)piperidine (5882-82-6) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → fenpiprane (3540-95-2)

Guidance literature:

With trifluorormethanesulfonic acid; at 25 ℃; for 3h;

DOI:10.1021/jo030024z

Reference yield: 94.0%

piperidine (110-89-4) + 1,1-Diphenylethylene (530-48-3) + carbon monoxide (201230-82-2) → fenpiprane (3540-95-2)

Guidance literature:

With [(bicyclo[2.2.1]hepta-2,5-diene)(1,4-bis(diphenylphosphino)butane)rhodium(I)] tetrafluoroborate; 1,1'-Binaphthalin-2,2'-diylbis(methylen)bis(diphenylphosphan); hydrogen; In toluene; at 125 ℃; for 60h; Autoclave;

DOI:10.1021/ol303483t

Reference yield: 90.0%

3,3-diphenyl-1-piperidin-1-yl-propan-1-one → fenpiprane (3540-95-2)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 4h;

DOI:10.1016/j.tet.2014.11.033

upstream raw materials:

piperidine

3,3-diphenylpropanal

3,3-diphenylpropan-1-ol

2,2-diphenyl-4-piperidin-1-yl-butyronitrile

Downstream raw materials:

1-(3,3-diphenyl-propyl)-1-methyl-piperidinium; iodide

1-(3-cyclohexyl-3-phenyl-propyl)-piperidine