1,7,13-Trithia-4,10-diazacyclohexadecan-15-ol

Base Information

Chemical Name:1,7,13-Trithia-4,10-diazacyclohexadecan-15-ol
CAS No.:343372-29-2
Molecular Formula:C₁₁H₂₄N₂OS₃
Molecular Weight:296.522
Hs Code.:2933990090
DSSTox Substance ID:DTXSID20453594
Nikkaji Number:J1.548.267B
Wikidata:Q82274766
Mol file:343372-29-2.mol

Synonyms:1,7,13-trithia-4,10-diazacyclohexadecan-15-ol;343372-29-2;DTXSID20453594;1,5,11-Trithia-8,14-diazacyclohexadecane-3-ol;A822173

Suppliers and Price of 1,7,13-Trithia-4,10-diazacyclohexadecan-15-ol

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
1,7,13-TRITHIA-4,10-DIAZACYCLOHEXADECAN-15-OL 95.00%
5MG
$ 500.64

Total 3 raw suppliers

Chemical Property of 1,7,13-Trithia-4,10-diazacyclohexadecan-15-ol

Chemical Property:

Melting Point:78-80 °C
Boiling Point:501.9±50.0 °C(Predicted)
PKA:13.80±0.20(Predicted)
PSA：120.19000
Density:1.092±0.06 g/cm3(Predicted)
LogP:1.39730
XLogP3:0.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:0
Exact Mass:296.10507691
Heavy Atom Count:17
Complexity:159

Purity/Quality:

97% ^*data from raw suppliers

1,7,13-TRITHIA-4,10-DIAZACYCLOHEXADECAN-15-OL 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CSCCNCCSCC(CSCCN1)O

Technology Process of 1,7,13-Trithia-4,10-diazacyclohexadecan-15-ol

There total 3 articles about 1,7,13-Trithia-4,10-diazacyclohexadecan-15-ol 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: 69.0%

: 122023-94-3
2-hydroxymethyl-7,14-diaza-1,4,10-trithiacyclopentadecane

: 343372-29-2
3-hydroxy-8,14-diaza-1,5,11-trithiacyclohexadecane

: 1,7-diaza-4,10,14-trithiabicyclo[10.4.0]hexadecane

Guidance literature:: With hydrogenchloride; for 4h; Heating;
DOI:10.1021/jo0017584

Reference yield:

: 226211-71-8
bis<2-(α-chloroacetamido)ethyl> sulfide

: 343372-29-2
3-hydroxy-8,14-diaza-1,5,11-trithiacyclohexadecane

Guidance literature:: Multi-step reaction with 3 steps

1.1: 50 percent / K₂CO₃ / acetonitrile / 48 h / Heating

2.1: borane-THF complex / tetrahydrofuran / 72 h / Heating

2.2: 85 percent / conc. HCl / 20 °C

3.1: 69 percent / conc. HCl / 4 h / Heating

With hydrogenchloride; borane-THF; potassium carbonate; In tetrahydrofuran; acetonitrile;
DOI:10.1021/jo0017584

Reference yield:

: 343372-27-0
3-hydroxymethyl-7,13-diaza-1,4,10-trithiacyclopentadecane-6,14-dione

: 343372-29-2
3-hydroxy-8,14-diaza-1,5,11-trithiacyclohexadecane

Guidance literature:: Multi-step reaction with 2 steps

1.1: borane-THF complex / tetrahydrofuran / 72 h / Heating

1.2: 85 percent / conc. HCl / 20 °C

2.1: 69 percent / conc. HCl / 4 h / Heating

With hydrogenchloride; borane-THF; In tetrahydrofuran;
DOI:10.1021/jo0017584