Thenalidine

Base Information

• Chemical Name: Thenalidine
• CAS No.: 86-12-4
• Molecular Formula: C17H22 N2 S
• Molecular Weight: 286.441
• Hs Code.: 2934999090
• European Community (EC) Number: 201-651-5
• UNII: 6U94N2D00F
• DSSTox Substance ID: DTXSID1048835
• Nikkaji Number: J4.932H
• Wikipedia: Thenalidine
• Wikidata: Q6578796
• NCI Thesaurus Code: C84198
• Metabolomics Workbench ID: 149257
• ChEMBL ID: CHEMBL2105458
• Mol file: 86-12-4.mol

Synonyms:1-methyl-4-(N-2-thenylanilino)piperidine;thenaldine;thenalidine

Chemical Property of Thenalidine

Chemical Property:

• Vapor Pressure: 4.64E-07mmHg at 25°C
• Melting Point: 95-97°
• Boiling Point: 413.9°C at 760 mmHg
• PKA: pKa 3.36±0.06(H2O t undefined I = 0.30 (NaCl)) (Uncertain);8.39±0.07(H2O t undefined I = 0.30 (NaCl)) (Uncertain)
• Flash Point: 204.1°C
• PSA: 34.72000
• Density: 1.14g/cm³
• LogP: 3.78680
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 286.15036988
• Heavy Atom Count: 20
• Complexity: 283

Purity/Quality:

99% ^*data from raw suppliers

Thenalidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC(CC1)N(CC2=CC=CS2)C3=CC=CC=C3
• Uses: Thenalidine is an antihistamine that has anticholinergic properties which is used as an antipruritic drugs.

Technology Process of Thenalidine

There total 2 articles about Thenalidine 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:

bromobenzene (108-86-1,52753-63-6) + 4-[(2-thienylmethyl)amino]-1-methylpiperidine (100051-94-3) → thenalidine (86-12-4)

Guidance literature:

With copper; potassium carbonate; at 200 ℃;

Reference yield:

2-Chloromethylthiophene (765-50-4) + N-(1-methyl-4-piperidinyl)aniline (22261-94-5) → thenalidine (86-12-4)

Guidance literature:

With sodium amide; xylene;

Reference yield: 62.0%

triethylsilane (617-86-7) + thenalidine (86-12-4) → 1-methyl-N-phenyl-N-((5-(triethylsilyl)thiophen-2-yl)methyl)piperidin-4-amine

Guidance literature:

With potassium tert-butylate;

DOI:10.1038/nature14126

upstream raw materials:

2-Chloromethylthiophene

N-(1-methyl-4-piperidinyl)aniline

bromobenzene

4-[(2-thienylmethyl)amino]-1-methylpiperidine

Downstream raw materials:

N-phenyl-2-thiophenecarboxamide

C₁₇H₂₀N₂OS