Thiosulfuric acid, S-(2-((2-(3-hydroxytricyclo(3.3.1.1(sup 3,7))dec-1-yl)ethyl)amino)-2-iminoethyl ester

Base Information

• Chemical Name: Thiosulfuric acid, S-(2-((2-(3-hydroxytricyclo(3.3.1.1(sup 3,7))dec-1-yl)ethyl)amino)-2-iminoethyl ester
• CAS No.: 128487-67-2
• Molecular Formula: C₁₄H₂₄N₂O₄S₂
• Molecular Weight: 348.488
• European Community (EC) Number: 842-821-4
• DSSTox Substance ID: DTXSID50926145
• ChEMBL ID: CHEMBL1318930
• Mol file: 128487-67-2.mol

Synonyms:BRN 4267879;128487-67-2;Thiosulfuric acid, S-(2-((2-(3-hydroxytricyclo(3.3.1.1(sup 3,7))dec-1-yl)ethyl)amino)-2-iminoethyl ester;MLS000700876;CHEMBL1318930;DTXSID50926145;HMS2540M10;NCGC00247171-01;SMR000230537;LS-153414;S-(2-{[2-(3-hydroxy-1-adamantyl)ethyl]amino}-2-iminoethyl) hydrogen thiosulfate;S-(2-{[2-(3-Hydroxyadamantan-1-yl)ethyl]amino}-2-iminoethyl) hydrogen sulfurothioate

Chemical Property of Thiosulfuric acid, S-(2-((2-(3-hydroxytricyclo(3.3.1.1(sup 3,7))dec-1-yl)ethyl)amino)-2-iminoethyl ester

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.62g/cm³
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 348.11774960
• Heavy Atom Count: 22
• Complexity: 556

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2CC3(CC1CC(C2)(C3)O)CCN=C(CSS(=O)(=O)O)N

Technology Process of Thiosulfuric acid, S-(2-((2-(3-hydroxytricyclo(3.3.1.1(sup 3,7))dec-1-yl)ethyl)amino)-2-iminoethyl ester

There total 2 articles about Thiosulfuric acid, S-(2-((2-(3-hydroxytricyclo(3.3.1.1(sup 3,7))dec-1-yl)ethyl)amino)-2-iminoethyl ester 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: 58.0%

N-(1-hydroxyadamant-3-ylethyl)-2-chloroacetamide hydrochloride (128487-63-8) → Thiosulfuric acid S-{N-[2-(3-hydroxy-adamantan-1-yl)-ethyl]-carbamimidoylmethyl} ester (128487-67-2)

Guidance literature:

With sodium thiosulfate; In methanol; water; for 1.5h; Heating;

DOI:10.1007/BF00769383

Reference yield:

3-aminoethyl-1-hydroxyadamantane hydrochloride (128487-55-8) → Thiosulfuric acid S-{N-[2-(3-hydroxy-adamantan-1-yl)-ethyl]-carbamimidoylmethyl} ester (128487-67-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) NaOMe / 1.) MeOH, 30 min, 2.) 45 min

2: 58 percent / Na₂S₂O₃*5H₂O / methanol; H₂O / 1.5 h / Heating

With sodium methylate; sodium thiosulfate; In methanol; water;

DOI:10.1007/BF00769383

upstream raw materials:

N-(1-hydroxyadamant-3-ylethyl)-2-chloroacetamide hydrochloride

3-aminoethyl-1-hydroxyadamantane hydrochloride