Thonzylamine

Base Information

• Chemical Name: Thonzylamine
• CAS No.: 91-85-0
• Molecular Formula: C16H22 N4 O
• Molecular Weight: 286.377
• Hs Code.: 2933599090
• European Community (EC) Number: 202-103-8
• UNII: R79646H5Z8
• DSSTox Substance ID: DTXSID8043864
• Nikkaji Number: J4.646I
• Wikipedia: Thonzylamine
• Wikidata: Q617226
• NCI Thesaurus Code: C84204
• RXCUI: 1360721
• Metabolomics Workbench ID: 152516
• ChEMBL ID: CHEMBL1623738
• Mol file: 91-85-0.mol

Synonyms:2-((2-(dimethylamino)ethyl)(4-methoxybenzyl)amino)pyrimidine;Ambistamin;Anahist;Histazylamine;Neohetramine;Piristina;Resistab;thonzylamine;thonzylamine hydrochloride;thonzylamine monohydrochloride;Thonzylene

Chemical Property of Thonzylamine

Chemical Property:

• Vapor Pressure: 5.8E-08mmHg at 25°C
• Refractive Index: 1.5850 (estimate)
• Boiling Point: 440.6oC at 760 mmHg
• PKA: pKa 2.17 (Uncertain);8.96 (Uncertain)
• Flash Point: 220.3oC
• PSA: 41.49000
• Density: 1.121g/cm3
• LogP: 2.05340
• Storage Temp.: Hygroscopic, Refrigerator, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Water Solubility.: 5.441g/L(37.5 oC)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 286.17936134
• Heavy Atom Count: 21
• Complexity: 274

Purity/Quality:

98% ^*data from raw suppliers

N1-(4-Methoxybenzyl)-N2,N2-dimethyl-N1-(pyrimidin-2-yl)ethane-1,2-diamine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCN(CC1=CC=C(C=C1)OC)C2=NC=CC=N2
• Uses: Thonzylamine is a selective H1-histamine receptor anatagonists. Tropine esterase inhibitor.

Technology Process of Thonzylamine

There total 7 articles about Thonzylamine 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:

4-methoxy-benzylamine (2393-23-9) → thonzylamine (91-85-0)

Guidance literature:

Multi-step reaction with 3 steps

1: ethanol / 3 h / Ambient temperature

2: hydrogen / 10percent Pd/C / ethanol; H₂O / 12 h / 25 - 30 °C / 5884.07 Torr

3: 50percent NaOH, tetrabutylammonium chloride / 3 h / 60 - 70 °C

With sodium hydroxide; tetrabutyl-ammonium chloride; hydrogen; palladium on activated charcoal; In ethanol; water;

Reference yield:

N-(4-methoxybenzyl)pyrimidin-2-amine (6957-21-7) + 2-(dimethylamino)ethyl chloride (107-99-3) → thonzylamine (91-85-0)

Guidance literature:

With sodium amide; toluene;

Reference yield:

4,6-dicloro-2-p.metossibenzilaminopirimidina (90042-89-0) → thonzylamine (91-85-0)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogen / 10percent Pd/C / ethanol; H₂O / 12 h / 25 - 30 °C / 5884.07 Torr

2: 50percent NaOH, tetrabutylammonium chloride / 3 h / 60 - 70 °C

With sodium hydroxide; tetrabutyl-ammonium chloride; hydrogen; palladium on activated charcoal; In ethanol; water;

upstream raw materials:

2-chloropyrimidine

N¹-(4-methoxybenzyl)-N²,N²-dimethylethane-1,2-diamine

N-(4-methoxybenzyl)pyrimidin-2-amine

2-(dimethylamino)ethyl chloride

Downstream raw materials:

N-<2-(dimethylamino)ethyl>pyrimidin-2-amine

4,4'-dianisylmethane

Refernces