Alverine

Base Information

• Chemical Name: Alverine
• CAS No.: 150-59-4
• Molecular Formula: C20H27N
• Molecular Weight: 281.441
• Hs Code.: 2921499090
• European Community (EC) Number: 205-763-5
• UNII: 46TIR1560O
• DSSTox Substance ID: DTXSID0048557
• Nikkaji Number: J5.855F
• Wikipedia: Alverine
• Wikidata: Q4116162
• NCI Thesaurus Code: C76387
• Metabolomics Workbench ID: 43601
• ChEMBL ID: CHEMBL253371
• Mol file: 150-59-4.mol

Synonyms:alverine;alverine citrate;alverine hydrochloride;Spasmaverine;Spasmonal

Chemical Property of Alverine

Chemical Property:

• Vapor Pressure: 2.48E-05mmHg at 25°C
• Melting Point: <25 °C
• Refractive Index: 1.547
• Boiling Point: 358.8 °C at 760 mmHg
• PKA: 9.51±0.50(Predicted)
• Flash Point: 174.4 °C
• PSA: 3.24000
• Density: 0.973 g/cm³
• LogP: 4.57390
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 281.214349865
• Heavy Atom Count: 21
• Complexity: 214

Purity/Quality:

99% ^*data from raw suppliers

Alverine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CCCC1=CC=CC=C1)CCCC2=CC=CC=C2
• Uses: Anticholinergic.
• Therapeutic Function: Anticholinergic, Spasmolytic

Technology Process of Alverine

There total 19 articles about Alverine 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: 96.0%

N,N-bis(3-phenylpropyl)acetamide (109418-64-6) → alverine (150-59-4)

Guidance literature:

With aluminum (III) chloride; lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 1.5h; Reagent/catalyst; Inert atmosphere;

DOI:10.1016/j.tet.2013.10.014

Reference yield: 96.0%

1-Bromo-3-phenylpropane (637-59-2) + ethanamine hydrochloride (557-66-4) → alverine (150-59-4)

Guidance literature:

With tetrabutylammomium bromide; sodium hydroxide; at 85 - 90 ℃; Reagent/catalyst;

Reference yield: 91.0%

ethanol (64-17-5) + bis-(3-phenyl-propyl)-amine (93948-20-0) → alverine (150-59-4)

Guidance literature:

With aluminum (III) chloride; water; In acetonitrile; at 20 ℃; Irradiation;

DOI:10.1002/cssc.202002459

upstream raw materials:

ethyl bromide

bis-(3-phenyl-propyl)-amine

ethylamine

phenylpropyl chloride

Downstream raw materials:

alverine citrate

Refernces

• 1、 Shakhmaev,Sunagatullina, A. Sh.,Zorin. "Alternative synthesis of alverine". . . Retrieved 2017.
• 2、 Wang, Lyu-Ming,Kobayashi, Kensuke,Arisawa, Mitsuhiro,Saito, Susumu,Naka, Hiroshi. "Pd/TiO2-Photocatalyzed Self-Condensation of Primary Amines to Afford Secondary Amines at Ambient Temperature". supporting information. p. 341 - 344. Retrieved 2018/12/11.