Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-hexyl-

Base Information

Chemical Name:Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-hexyl-
CAS No.:74797-26-5
Molecular Formula:C₂₁H₂₆N₂OS
Molecular Weight:354.516
Hs Code.:
DSSTox Substance ID:DTXSID60996319

Synonyms:BRN 4541613;VUFB-12508;74797-26-5;Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-hexyl-;1-(6,11-Dihydrobenzo(b,e)thiepin-11-yl)-3-(n-hexyl)urea;1-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-3-hexylurea;DTXSID60996319;WOWUIZDCLQJAIJ-UHFFFAOYSA-N;AKOS005066038;LS-159845;AE-641/30117034;N-(6,11-dihydrodibenzo[b,e]thiepin-11-yl)-N'-hexylurea;N-(6,11-Dihydrodibenzo[b,e]thiepin-11-yl)-N'-hexylcarbamimidic acid

Suppliers and Price of Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-hexyl-

Supply Marketing:

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

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Chemical Property of Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-hexyl-

Chemical Property:

Vapor Pressure:5.32E-12mmHg at 25°C
Boiling Point:546.6°Cat760mmHg
Flash Point:284.3°C
PSA：69.92000
Density:1.16g/cm³
LogP:5.85650
XLogP3:5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:354.17658463
Heavy Atom Count:25
Complexity:417

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCNC(=O)NC1C2=CC=CC=C2CSC3=CC=CC=C13

Technology Process of Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-hexyl-

There total 5 articles about Urea, N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N'-hexyl- 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: 89.0%

: 1745-53-5
11-amino-6,11-dihydrodibenzothiepin

: 2525-62-4,26746-07-6
Hexyl isocyanate

: 74797-26-5
1-(6,11-dihydrodibenzothiepin-11-yl)-3-(n-hexyl)urea

Guidance literature:: In toluene; 1) 15 min., 65-72 deg C; 2) 1.5 h, 70-80 deg C;
DOI:10.1135/cccc19800517

Reference yield:

: 1745-46-6
6,11-dihydrodibenzo[b,e]thiepin-11-ol

: 74797-26-5
1-(6,11-dihydrodibenzothiepin-11-yl)-3-(n-hexyl)urea

Guidance literature:: Multi-step reaction with 4 steps

1: 99 percent / 4-toluenesulfonic acid / acetic acid / 1) 37 deg C, 6h; 2) room temp., overnight

2: 1) KOH, 2) 5M HCl / 1) 95 percent ethanol, 6h, reflux; 2) water

3: NH₄OH / H₂O

4: 89 percent / toluene / 1) 15 min., 65-72 deg C; 2) 1.5 h, 70-80 deg C

With hydrogenchloride; potassium hydroxide; ammonium hydroxide; toluene-4-sulfonic acid; In water; acetic acid; toluene;
DOI:10.1135/cccc19800517

Reference yield:

: 74797-18-5
ethyl N-(6,11-dihydrodibenzothiepin-11-yl)carbamate

: 74797-26-5
1-(6,11-dihydrodibenzothiepin-11-yl)-3-(n-hexyl)urea

Guidance literature:: Multi-step reaction with 2 steps

1: 96 percent / 2-aminoethanol / 5.5 h / 160 - 168 °C / Heating

2: 89 percent / toluene / 1) 15 min., 65-72 deg C; 2) 1.5 h, 70-80 deg C

With ethanolamine; In toluene;
DOI:10.1135/cccc19800517