Pentorex

Base Information

• Chemical Name: Pentorex
• CAS No.: 434-43-5
• Molecular Formula: C11H17 N
• Molecular Weight: 163.263
• Hs Code.: 2921499090
• European Community (EC) Number: 207-102-6
• UNII: K97CJK0FXR
• DSSTox Substance ID: DTXSID80861934
• Nikkaji Number: J5.732K
• Wikipedia: Pentorex
• Wikidata: Q7165274
• NCI Thesaurus Code: C66346
• ChEMBL ID: CHEMBL2105389
• Mol file: 434-43-5.mol

Synonyms:phenpentermine

Chemical Property of Pentorex

Chemical Property:

• Vapor Pressure: 0.0663mmHg at 25°C
• Melting Point: 75-77 °C
• Boiling Point: 230.3°Cat760mmHg
• PKA: 10.00±0.25(Predicted)
• Flash Point: 96.5°C
• PSA: 26.02000
• Density: 0.926g/cm³
• LogP: 3.22770
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 163.136099547
• Heavy Atom Count: 12
• Complexity: 134

Purity/Quality:

99%, ^*data from raw suppliers

PentorexHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)C(C)(C)N
• Therapeutic Function: Anorexic

Technology Process of Pentorex

There total 3 articles about Pentorex 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: 71.0%

α,β,β-trimethylstyrene (769-57-3) → 2-methyl-3-phenylbutan-2-amine (434-43-5)

Guidance literature:

With 10-phenyl-9-(2,4,6-trimethylphenyl)acridinium tetrafluoroborate; ammonium carbonate; 2-amino-benzenethiol; In dichloromethane; chlorobenzene; at 20 ℃; for 12h; Schlenk technique; Inert atmosphere; Sealed tube; Irradiation;

DOI:10.1002/anie.202016679

Reference yield:

methyl lithium lithium bromide complex + 1-phenylethyl cyanide (1823-91-2) → 2-methyl-3-phenylbutan-2-amine (434-43-5)

Guidance literature:

With cerium(III) chloride; In tetrahydrofuran; diethyl ether; at -70 ℃;

DOI:10.1055/s-2006-950362

Reference yield:

→ 2-methyl-3-phenylbutan-2-amine (434-43-5)

Guidance literature:

/BRN= 936290/ (II), HCl;

upstream raw materials:

1-phenylethyl cyanide

α,β,β-trimethylstyrene

Refernces

• 1、 Limanto, John,Dorner, Benjamin,Devine, Paul N.. "Non-cryogenic CeCl3-promoted double additions of methyllithium and n-butyllithium to unsaturated nitriles". . p. 4143 - 4150. Retrieved 2008/03/13.