1-Oxa-4,10,16-trithia-7,13-diazacyclooctadecane

Base Information

• Chemical Name: 1-Oxa-4,10,16-trithia-7,13-diazacyclooctadecane
• CAS No.: 343372-28-1
• Molecular Formula: C₁₂H₂₆N₂OS₃
• Molecular Weight: 310.549
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70448990
• Nikkaji Number: J1.548.265F
• Wikidata: Q82268249
• Mol file: 343372-28-1.mol

Synonyms:1-oxa-4,10,16-trithia-7,13-diazacyclooctadecane;343372-28-1;DTXSID70448990;2-(2,3-Dichlorophenyl)propionicacid;A822172

Chemical Property of 1-Oxa-4,10,16-trithia-7,13-diazacyclooctadecane

Chemical Property:

• PSA: 109.19000
• LogP: 2.05300
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 310.12072698
• Heavy Atom Count: 18
• Complexity: 159

Purity/Quality:

97% ^*data from raw suppliers

1-OXA-4,10,16-TRITHIA-7,13-DIAZACYCLOOCTADECANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CSCCNCCSCCOCCSCCN1

Technology Process of 1-Oxa-4,10,16-trithia-7,13-diazacyclooctadecane

There total 2 articles about 1-Oxa-4,10,16-trithia-7,13-diazacyclooctadecane 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: 79.0%

7,13-diaza-1-oxa-4,10,16-trithiacyclooctadecane-6,14-dione (343372-25-8) → 7,13-diaza-4,10,16-trithia-1-oxacyclooctadecane (343372-28-1)

Guidance literature:

7,13-diaza-1-oxa-4,10,16-trithiacyclooctadecane-6,14-dione; With borane-THF; In tetrahydrofuran; for 72h; Heating;

With hydrogenchloride; at 20 ℃; Further stages.;

DOI:10.1021/jo0017584

Reference yield:

bis<2-(α-chloroacetamido)ethyl> sulfide (226211-71-8) → 7,13-diaza-4,10,16-trithia-1-oxacyclooctadecane (343372-28-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 58 percent / K₂CO₃ / acetonitrile / 48 h / Heating

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

2.2: 79 percent / conc. HCl / 20 °C

With borane-THF; potassium carbonate; In tetrahydrofuran; acetonitrile;

DOI:10.1021/jo0017584

Reference yield: 75.0%

2-formyl oxine (14510-06-6) + 7,13-diaza-4,10,16-trithia-1-oxacyclooctadecane (343372-28-1) → 7,13-bis(8-hydroxyquinolin-2-ylmethyl)-7,13-diaza-4,10,16-trithia-1-oxacyclooctadecane (343372-33-8)

Guidance literature:

With sodium tris(acetoxy)borohydride; In 1,2-dichloro-ethane; at 20 ℃; for 4h;

DOI:10.1021/jo0017584

upstream raw materials:

7,13-diaza-1-oxa-4,10,16-trithiacyclooctadecane-6,14-dione

bis<2-(α-chloroacetamido)ethyl> sulfide

Downstream raw materials:

7,13-bis(8-hydroxyquinolin-2-ylmethyl)-7,13-diaza-4,10,16-trithia-1-oxacyclooctadecane

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