Ethanethiol, 2-(4-phenylbutyl)amino-, hydrogen sulfate (ester)

Base Information

• Chemical Name: Ethanethiol, 2-(4-phenylbutyl)amino-, hydrogen sulfate (ester)
• CAS No.: 23464-46-2
• Molecular Formula: C₁₂H₁₉NO₃S₂
• Molecular Weight: 289.42
• NSC Number: 339141
• UNII: 6E9N4ESU2M
• DSSTox Substance ID: DTXSID00178016
• Nikkaji Number: J53.959G
• Wikidata: Q83048353
• Mol file: 23464-46-2.mol

Synonyms:23464-46-2;Ethanethiol, 2-(4-phenylbutyl)amino-, hydrogen sulfate (ester);NSC-339141;Thiosulfuric acid (H2S2O3), S-[2-[(4-phenylbutyl)amino]ethyl] ester;4-(2-sulfosulfanylethylamino)butylbenzene;NSC 339141;WR 2754;BRN 2863794;2-(4-Phenylbutyl)aminoethanethiol hydrogen sulfate (ester);Thiosulfuric acid (H2S2O3), S-(2-((4-phenylbutyl)amino)ethyl) ester;Ethanethiol, 2-((4-phenylbutyl)amino)-, hydrogen sulfate (ester);Ethanethiol, 2-((4-phenylbutyl)amino)-,hydrogen sulfate (ester);6E9N4ESU2M;DTXSID00178016;Ethanethiol,hydrogen sulfate (ester);NSC339141;WR-2754;Thiosulfuric acid s-[2-[(4-phenylbutyl)amino]ethyl]ester

Chemical Property of Ethanethiol, 2-(4-phenylbutyl)amino-, hydrogen sulfate (ester)

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.26g/cm³
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 289.08063582
• Heavy Atom Count: 18
• Complexity: 295

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCCCNCCSS(=O)(=O)O

Technology Process of Ethanethiol, 2-(4-phenylbutyl)amino-, hydrogen sulfate (ester)

There total 2 articles about Ethanethiol, 2-(4-phenylbutyl)amino-, hydrogen sulfate (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:

oxirane (75-21-8,99932-75-9) + 4-phenyl-1-butylamine (13214-66-9) → Thiosulfuric acid S-[2-(4-phenyl-butylamino)-ethyl] ester (23464-46-2)

Guidance literature:

Multistep reaction; (i), (ii) aq. HBr, (iii) aq. Na₂S₂O₃, EtOH;

DOI:10.1021/jm00296a020

Reference yield:

→ Thiosulfuric acid S-[2-(4-phenyl-butylamino)-ethyl] ester (23464-46-2)

Guidance literature:

Aus d. entspr. Bromid, Na-thiosulfat;

upstream raw materials:

oxirane

4-phenyl-1-butylamine

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