Cidoxepin hydrochloride

Base Information

• Chemical Name: Cidoxepin hydrochloride
• CAS No.: 25127-31-5
• Molecular Formula: C₁₉H₂₁NO*ClH
• Molecular Weight: 315.843
• European Community (EC) Number: 214-966-8
• UNII: XI27WMG8QK
• ChEMBL ID: CHEMBL1256774
• NCI Thesaurus Code: C61678
• NSC Number: 756750,108160
• Wikidata: Q27293851
• Mol file: 25127-31-5.mol

Synonyms:Aftate;Breezee;Chinofungin;Chlorisept;Curatin;Genaspor;Micoisdin;NP 27;NP-27;NP27;Ony Clear;Ony-Clear;Purder N, Tolnaftat;Sporiline;Tinactin;Tinaderm;Tinatox;Tineafax;Ting;Tolnaftat Purder N;Tolnaftate;Tonoftal;ZeaSorb

Chemical Property of Cidoxepin hydrochloride

Chemical Property:

• Boiling Point: 413.3°Cat760mmHg
• Flash Point: 121.3°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 315.1389920
• Heavy Atom Count: 22
• Complexity: 363

Purity/Quality:

99.3% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN(C)CCC=C1C2=CC=CC=C2COC3=CC=CC=C31.Cl
• Isomeric SMILES: CN(C)CC/C=C\1/C2=CC=CC=C2COC3=CC=CC=C31.Cl
• Recent ClinicalTrials: Assess the Effect of Zolpidem, Silenor & Placebo on Arousability, Ataxia/Balance & Cognition in Healthy Volunteers

Technology Process of Cidoxepin hydrochloride

There total 26 articles about Cidoxepin hydrochloride 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: 91.23%

doxepin (1668-19-5,3607-18-9,3607-34-9) → doxepin hydrochloride (1229-29-4,25127-31-5)

Guidance literature:

With hydrogenchloride; In ethanol; at 150 ℃; for 22h; Temperature;

Reference yield:

2-(phenoxymethyl)benzoic acid (724-98-1) → doxepin hydrochloride (1229-29-4,25127-31-5)

Guidance literature:

Multi-step reaction with 2 steps

1: P₂O₅ / ethanol

2: 2.) conc. HCl, 3.) HCl-gas / 1.) THF, toluene, 65 deg C, 2 h, 2.) 1 h, 3.) 75 deg C, 1.5 h, ethanol

With hydrogenchloride; phosphorus pentoxide; In ethanol;

Reference yield:

3-(N,N-dimethylamino)propylmagnesium chloride (19070-16-7) + 6,11-dihydrodibenz[b,e]oxepin-11-one (4504-87-4) → doxepin hydrochloride (1229-29-4,25127-31-5)

Guidance literature:

With hydrogenchloride; Multistep reaction; 1.) THF, toluene, 65 deg C, 2 h, 2.) 1 h, 3.) 75 deg C, 1.5 h, ethanol;

upstream raw materials:

3-(Dimethylamino)propyl chloride

doxepin

3-(N,N-dimethylamino)propylmagnesium chloride

6,11-dihydrodibenz[b,e]oxepin-11-one

Downstream raw materials:

3-(6H-dibenzoxepin-11-ylidene)-N-methylpropylamine hydrochloride

(E)-Desmethyldoxepin

(Z)-Desmethyldoxepin

(E)-N-desmethyl-N-formyldoxepin

Refernces

• 1、 -. "Synthesis method of doxepin hydrochloride". Paragraph 0075-0083; 0155-0163. . Retrieved 2021/11/03.
• 2、 -. "Refining method of doxepin hydrochloride". Paragraph 0025; 0029-0031; 0035-0037; 0041-0053. . Retrieved 2021/05/01.