2-Chloro-10-(4-(3,4-dimethoxybenzylideneamino)piperazino)-10,11-dihydrodibenzo(b,f)thiepin

Base Information

• Chemical Name: 2-Chloro-10-(4-(3,4-dimethoxybenzylideneamino)piperazino)-10,11-dihydrodibenzo(b,f)thiepin
• CAS No.: 86758-93-2
• Molecular Formula: C₂₇H₂₈ClN₃O₂S
• Molecular Weight: 494.057
• Mol file: 86758-93-2.mol

Synonyms:BRN 4609330;2-Chloro-10-(4-(3,4-dimethoxybenzylideneamino)piperazino)-10,11-dihydrodibenzo(b,f)thiepin;1-Piperazinamine, 4-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-N-((3,4-dimethoxyphenyl)methylene)-;86758-93-2;C27H28ClN3O2S;LS-109853

Chemical Property of 2-Chloro-10-(4-(3,4-dimethoxybenzylideneamino)piperazino)-10,11-dihydrodibenzo(b,f)thiepin

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 623.704°C at 760 mmHg
• Flash Point: 331.004°C
• PSA: 62.60000
• Density: 1.281g/cm³
• LogP: 5.63310
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 493.1590760
• Heavy Atom Count: 34
• Complexity: 676

Purity/Quality:

98% ^*data from raw suppliers

1-PIPERAZINAMINE, 4-(2-CHLORO-10,11-DIHYDRODIBENZO(B,F)THIEPIN-10-YL)-N-((3,4-DIMETHOXYPHENYL)METHYLENE)- 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C=NN2CCN(CC2)C3CC4=C(C=CC(=C4)Cl)SC5=CC=CC=C35)OC
• Isomeric SMILES: COC1=C(C=C(C=C1)/C=N/N2CCN(CC2)C3CC4=C(C=CC(=C4)Cl)SC5=CC=CC=C35)OC

Technology Process of 2-Chloro-10-(4-(3,4-dimethoxybenzylideneamino)piperazino)-10,11-dihydrodibenzo(b,f)thiepin

There total 3 articles about 2-Chloro-10-(4-(3,4-dimethoxybenzylideneamino)piperazino)-10,11-dihydrodibenzo(b,f)thiepin 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: 84.0%

10-(4-aminopiperazino)-2-chloro-10,11-dihydrodibenzothiepin (86759-20-8) + 3,4-dimethoxy-benzaldehyde (120-14-9) → 2-chloro-10-<4-(3,4-dimethoxybenzylideneamino)piperazino>-10,11-dihydrodibenzothiepin (86758-93-2)

Guidance literature:

In ethanol; for 0.25h; Heating;

DOI:10.1135/cccc19831173

Reference yield:

2-chloro-10-(4-nitrosopiperazino)-10,11-dihydrodibenzothiepin (86759-17-3) → 2-chloro-10-<4-(3,4-dimethoxybenzylideneamino)piperazino>-10,11-dihydrodibenzothiepin (86758-93-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 97 percent / LiAlH₄ / diethyl ether / 5 h / Ambient temperature

2: 84 percent / ethanol / 0.25 h / Heating

With lithium aluminium tetrahydride; In diethyl ether; ethanol;

DOI:10.1135/cccc19831173

Reference yield:

1-(2-chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-yl)-piperazine (52548-24-0) → 2-chloro-10-<4-(3,4-dimethoxybenzylideneamino)piperazino>-10,11-dihydrodibenzothiepin (86758-93-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 76 percent / NaNO₂, aq. HCl / 1.) 75-80 deg C, 3 h, 2.) R_.T_., overnight.

2: 97 percent / LiAlH₄ / diethyl ether / 5 h / Ambient temperature

3: 84 percent / ethanol / 0.25 h / Heating

With hydrogenchloride; lithium aluminium tetrahydride; sodium nitrite; In diethyl ether; ethanol;

DOI:10.1135/cccc19831173

upstream raw materials:

10-(4-aminopiperazino)-2-chloro-10,11-dihydrodibenzothiepin

3,4-dimethoxy-benzaldehyde

2-chloro-10-(4-nitrosopiperazino)-10,11-dihydrodibenzothiepin

1-(2-chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-yl)-piperazine

Refernces