Northiaden

Base Information

• Chemical Name: Northiaden
• CAS No.: 1154-09-2
• Molecular Formula: C18H19 N S
• Molecular Weight: 281.4152
• Hs Code.: 2934999090
• UNII: Z8W20XLE56
• DSSTox Substance ID: DTXSID701162830
• Nikkaji Number: J491.382E,J523.680K
• Wikipedia: Northiaden
• Wikidata: Q27295158
• Mol file: 1154-09-2.mol

Synonyms:northiaden;northiaden hydrochloride;northiaden hydrochloride, (E)-isomer;northiaden, (E)-isomer

Chemical Property of Northiaden

Chemical Property:

• Vapor Pressure: 6.9E-08mmHg at 25°C
• Melting Point: 72-75°C
• Boiling Point: 438.5°Cat760mmHg
• Flash Point: 219°C
• PSA: 37.33000
• Density: 1.161g/cm³
• LogP: 4.72440
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 281.12382078
• Heavy Atom Count: 20
• Complexity: 338

Purity/Quality:

98%,99%, ^*data from raw suppliers

Northiaden ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCCC=C1C2=CC=CC=C2CSC3=CC=CC=C31
• Isomeric SMILES: CNCC/C=C/1\C2=CC=CC=C2CSC3=CC=CC=C31
• Uses: A metabolite of Dothiepin.

Technology Process of Northiaden

There total 3 articles about Northiaden 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: 77.0%

11-<3-(Methyl-ethoxycarbonylamino)-propyliden>-6,11-dihydro-dibenzothiepin (2025-60-7) → 11-(3-Methylamino-propyliden)-6,11-dihydro-dibenzothiepin (1154-09-2)

Guidance literature:

With potassium hydroxide; In butan-1-ol; for 4h; Heating;

DOI:10.1248/cpb.41.1987

Reference yield:

dothiepin hydrochloride (897-15-4) → 11-(3-Methylamino-propyliden)-6,11-dihydro-dibenzothiepin (1154-09-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 92 percent / 1.) NaHCO₃ / toluene / 6 h / Heating

2: 77 percent / KOH / butan-1-ol / 4 h / Heating

With potassium hydroxide; sodium hydrogencarbonate; In toluene; butan-1-ol;

DOI:10.1248/cpb.41.1987

Reference yield:

→ 11-(3-Methylamino-propyliden)-6,11-dihydro-dibenzothiepin (1154-09-2)

Guidance literature:

11-(3-Dimethylamino-propyliden)-6,11-dihydro-dibenzothiepin (II), 1)ClCO2C2H5/Benzol 2)KOH, wss.Triethylenglykol, 160-170grad Badtemp.;

upstream raw materials:

11-<3-(Methyl-ethoxycarbonylamino)-propyliden>-6,11-dihydro-dibenzothiepin

dothiepin hydrochloride

Refernces