2-(3-(m-Methoxyphenyl)propyl)aminoethanethiol hydrogen sulfate (ester)

Base Information

• Chemical Name: 2-(3-(m-Methoxyphenyl)propyl)aminoethanethiol hydrogen sulfate (ester)
• CAS No.: 27976-18-7
• Molecular Formula: C₁₂H₁₉NO₄S₂
• Molecular Weight: 305.419
• DSSTox Substance ID: DTXSID80950670
• Nikkaji Number: J49.763K

Synonyms:27976-18-7;BRN 2748362;2-(3-(m-Methoxyphenyl)propyl)aminoethanethiol hydrogen sulfate (ester);s-(2-{[3-(3-methoxyphenyl)propyl]amino}ethyl) hydrogen sulfurothioate;Ethanethiol, 2-(3-(m-methoxyphenyl)propyl)amino-, hydrogen sulfate (ester);DTXSID80950670

Chemical Property of 2-(3-(m-Methoxyphenyl)propyl)aminoethanethiol hydrogen sulfate (ester)

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.288g/cm³
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 305.07555043
• Heavy Atom Count: 19
• Complexity: 329

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)CCCNCCSS(=O)(=O)O

Technology Process of 2-(3-(m-Methoxyphenyl)propyl)aminoethanethiol hydrogen sulfate (ester)

There total 1 articles about 2-(3-(m-Methoxyphenyl)propyl)aminoethanethiol 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:

3-(4-methoxyphenyl)propyl bromide (57293-19-3) + thiosulfuric acid S-(2-amino-ethyl) ester; sodium salt (54641-86-0) → Thiosulfuric acid S-{2-[3-(3-methoxy-phenyl)-propylamino]-ethyl} ester (27976-18-7)

Guidance literature:

In ethanol;

DOI:10.1021/jm00296a020

upstream raw materials:

3-(4-methoxyphenyl)propyl bromide

thiosulfuric acid S-(2-amino-ethyl) ester; sodium salt

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