4-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-N-(phenylmethylene)-1-piperazinamine

Base Information

Chemical Name:4-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-N-(phenylmethylene)-1-piperazinamine
CAS No.:86758-89-6
Molecular Formula:C₂₅H₂₄ClN₃S
Molecular Weight:434.005
Hs Code.:
Mol file:86758-89-6.mol

Synonyms:BRN 4590673;1-Piperazinamine, 4-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-N-(phenylmethylene)-;4-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-N-(phenylmethylene)-1-piperazinamine;86758-89-6;C25H24ClN3S;LS-109858

Suppliers and Price of 4-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-N-(phenylmethylene)-1-piperazinamine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
1-PIPERAZINAMINE, 4-(2-CHLORO-10,11-DIHYDRODIBENZO(B,F)THIEPIN-10-YL)-N-(PHENYLMETHYLENE)- 95.00%
5MG
$ 497.12

Total 0 raw suppliers

Chemical Property of 4-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-N-(phenylmethylene)-1-piperazinamine

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Melting Point:157-160 °C(Solv: ethanol (64-17-5))
Boiling Point:577.238°C at 760 mmHg
PKA:6.66±0.70(Predicted)
Flash Point:302.903°C
PSA：44.14000
Density:1.268g/cm³
LogP:5.61590
XLogP3:6.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:433.1379466
Heavy Atom Count:30
Complexity:573

Purity/Quality:: 1-PIPERAZINAMINE, 4-(2-CHLORO-10,11-DIHYDRODIBENZO(B,F)THIEPIN-10-YL)-N-(PHENYLMETHYLENE)- 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CN(CCN1C2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24)N=CC5=CC=CC=C5
Isomeric SMILES:C1CN(CCN1C2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24)/N=C/C5=CC=CC=C5

Technology Process of 4-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-N-(phenylmethylene)-1-piperazinamine

There total 3 articles about 4-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-N-(phenylmethylene)-1-piperazinamine 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%

: 86759-20-8
10-(4-aminopiperazino)-2-chloro-10,11-dihydrodibenzothiepin

: 100-52-7
benzaldehyde

: 86758-89-6
[4-(2-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-yl)-piperazin-1-yl]-[1-phenyl-meth-(E)-ylidene]-amine

Guidance literature:: In ethanol; for 0.25h; Heating;
DOI:10.1135/cccc19831173

Reference yield:

: 86759-17-3
2-chloro-10-(4-nitrosopiperazino)-10,11-dihydrodibenzothiepin

: 86758-89-6
[4-(2-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-yl)-piperazin-1-yl]-[1-phenyl-meth-(E)-ylidene]-amine

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:

: 52548-24-0
1-(2-chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-yl)-piperazine

: 86758-89-6
[4-(2-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-yl)-piperazin-1-yl]-[1-phenyl-meth-(E)-ylidene]-amine

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