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1-(Hydroxymethyl)-5,7-dimethyl-4-(phenylmethyl)-2,3-dithia-5,7-diazabicyclo(2.2.2)octane-6,8-dione

Base Information Edit
  • Chemical Name:1-(Hydroxymethyl)-5,7-dimethyl-4-(phenylmethyl)-2,3-dithia-5,7-diazabicyclo(2.2.2)octane-6,8-dione
  • CAS No.:51920-94-6
  • Molecular Formula:C14H16N2O3S2
  • Molecular Weight:324.425
  • Hs Code.:
  • Mol file:51920-94-6.mol
1-(Hydroxymethyl)-5,7-dimethyl-4-(phenylmethyl)-2,3-dithia-5,7-diazabicyclo(2.2.2)octane-6,8-dione

Synonyms:(-)-isomer of hyalodendrin;2-benzyl-1,4-dimethyl-5-hydroxymethyl--2,5-epi-dithia-3,6-diketopiperazine;A 26771 A;A-26771A;hyalodendrin

Suppliers and Price of 1-(Hydroxymethyl)-5,7-dimethyl-4-(phenylmethyl)-2,3-dithia-5,7-diazabicyclo(2.2.2)octane-6,8-dione
Supply Marketing:Edit
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
  • TRC
  • (+)-Hyalodendrin
  • 0.5mg
  • $ 220.00
  • TRC
  • (+)-Hyalodendrin
  • 5mg
  • $ 1760.00
  • American Custom Chemicals Corporation
  • HYALODENDRIN 95.00%
  • 5MG
  • $ 498.47
Total 3 raw suppliers
Chemical Property of 1-(Hydroxymethyl)-5,7-dimethyl-4-(phenylmethyl)-2,3-dithia-5,7-diazabicyclo(2.2.2)octane-6,8-dione Edit
Chemical Property:
  • Vapor Pressure:2.56E-14mmHg at 25°C 
  • Boiling Point:580.5°C at 760 mmHg 
  • PKA:13.10±0.10(Predicted) 
  • Flash Point:304.9°C 
  • Density:1.452g/cm3 
  • XLogP3:1.2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Rotatable Bond Count:3
  • Exact Mass:324.06023472
  • Heavy Atom Count:21
  • Complexity:469
Purity/Quality:

98%Min *data from raw suppliers

(+)-Hyalodendrin *data from reagent suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CN1C(=O)C2(N(C(=O)C1(SS2)CC3=CC=CC=C3)C)CO
  • Isomeric SMILES:CN1C(=O)[C@]2(N(C(=O)C1(SS2)CC3=CC=CC=C3)C)CO
  • Uses (+)-Hyalodendrin is a growth inhibitor with antimicrobial activity. (+)-Hyalodendrin is commonly used in the treatment of Dutch elm disease in plants.
Technology Process of 1-(Hydroxymethyl)-5,7-dimethyl-4-(phenylmethyl)-2,3-dithia-5,7-diazabicyclo(2.2.2)octane-6,8-dione

There total 8 articles about 1-(Hydroxymethyl)-5,7-dimethyl-4-(phenylmethyl)-2,3-dithia-5,7-diazabicyclo(2.2.2)octane-6,8-dione 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:
Guidance literature:
3-(4-methoxyphenyl)-6,8-dimethyl-1-hydroxymethyl-5-(phenylmethyl)-2,4-dithia-6,8-diazabicyclo[3.2.2]nonaiie-7,9-dione; With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 0 ℃; for 0.166667h;
With perchloric acid; dimethylsulfide; In methanol; dichloromethane; at 0 - 20 ℃; for 9h;
Guidance literature:
Multi-step reaction with 8 steps
1.1: bromine / 1,2-dichloro-benzene / 150 °C
2.1: triethylamine / chloroform; acetone / 4 h / 4 °C
3.1: hydrogenchloride / diethyl ether; methanol / 2 h / Reflux
4.1: boron trifluoride diethyl etherate / dichloromethane / 16 h / 20 °C
5.1: n-butyllithium / tetrahydrofuran; hexane / 0.03 h / -78 °C
5.2: -78 - 20 °C
6.1: n-butyllithium / tetrahydrofuran; hexane / -78 - 20 °C
7.1: boron trichloride / dichloromethane / 0.17 h / 0 °C
8.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 0.17 h / 0 °C
8.2: 9 h / 0 - 20 °C
With hydrogenchloride; n-butyllithium; boron trifluoride diethyl etherate; bromine; boron trichloride; triethylamine; 3-chloro-benzenecarboperoxoic acid; In tetrahydrofuran; methanol; diethyl ether; hexane; dichloromethane; chloroform; 1,2-dichloro-benzene; acetone;
Guidance literature:
Multi-step reaction with 3 steps
1.1: n-butyllithium / tetrahydrofuran; hexane / -78 - 20 °C
2.1: boron trichloride / dichloromethane / 0.17 h / 0 °C
3.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 0.17 h / 0 °C
3.2: 9 h / 0 - 20 °C
With n-butyllithium; boron trichloride; 3-chloro-benzenecarboperoxoic acid; In tetrahydrofuran; hexane; dichloromethane;
Refernces Edit
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