Decloxizine

Base Information

• Chemical Name: Decloxizine
• CAS No.: 3733-63-9
• Molecular Formula: C21H28N2O2
• Molecular Weight: 340.466
• Hs Code.: 2933599090
• NSC Number: 289116
• UNII: 919C49XAYD
• DSSTox Substance ID: DTXSID40190777
• Nikkaji Number: J8.223F
• Wikidata: Q27271389
• NCI Thesaurus Code: C76673
• ChEMBL ID: CHEMBL2106665
• Mol file: 3733-63-9.mol

Synonyms:decloxazine;decloxazine dihydrochloride;decloxizine;UCB 1402

Chemical Property of Decloxizine

Chemical Property:

• Appearance/Colour: white or similar to white powder
• Vapor Pressure: 9.93E-10mmHg at 25°C
• Refractive Index: 1.576
• Boiling Point: 472.4 °C at 760 mmHg
• PKA: 14.41±0.10(Predicted)
• Flash Point: 239.5 °C
• PSA: 35.94000
• Density: 1.115 g/cm³
• LogP: 2.27830
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), DMSO (Slightly)
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 340.215078140
• Heavy Atom Count: 25
• Complexity: 328

Purity/Quality:

98% ^*data from raw suppliers

Decloxizine >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1CCOCCO)C(C2=CC=CC=C2)C3=CC=CC=C3
• Uses: Decloxizine is a histamine 1 receptor antagonist. Hydroxyzine (H996500) impurity.

Technology Process of Decloxizine

There total 2 articles about Decloxizine 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:

diphenylmethylpiperazine (841-77-0) → 4-(diphenylmethyl)-1-[2-(2-hydroxyethoxy)ethyl]piperazine (3733-63-9)

Guidance literature:

With sodium iodide; potassium carbonate; In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; N,N-dimethyl-formamide;

Reference yield:

diphenylmethylpiperazine (841-77-0) + 2-(2-Chloroethoxy)ethanol (628-89-7) → 4-(diphenylmethyl)-1-[2-(2-hydroxyethoxy)ethyl]piperazine (3733-63-9)

Guidance literature:

at 160 ℃;

Reference yield: 19.0%

phthalimide (136918-14-4,85-41-6) + 4-(diphenylmethyl)-1-[2-(2-hydroxyethoxy)ethyl]piperazine (3733-63-9) → 2-{2-[2-(4-diphenylmethyl-piperazin-1-yl)-ethoxy]-ethyl}-isoindolin-1,3-dione (227776-20-7)

Guidance literature:

With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; at 15 ℃; for 3h;

upstream raw materials:

diphenylmethylpiperazine

2-(2-Chloroethoxy)ethanol

Downstream raw materials:

2-{2-[2-(4-diphenylmethyl-piperazin-1-yl)-ethoxy]-ethyl}-isoindolin-1,3-dione

Refernces

• 1、 -. "Condensed pyridazine derivatives, their production and use". . . Retrieved 2008/06/13.
• 2、 -. "Condensed pyridazine derivatives, their production and use". . . Retrieved 2008/06/13.