Methyl 2-[(2-aminoethyl)sulfanyl]benzoate

Base Information

Chemical Name:Methyl 2-[(2-aminoethyl)sulfanyl]benzoate
CAS No.:104864-66-6
Molecular Formula:C10H13NO2S
Molecular Weight:211.285
Hs Code.:
DSSTox Substance ID:DTXSID60546616
Wikidata:Q82424499
Mol file:104864-66-6.mol

Synonyms:104864-66-6;Methyl 2-[(2-aminoethyl)sulfanyl]benzoate;methyl 2-((2-aminoethyl)thio)benzoate;SCHEMBL21505100;DTXSID60546616;EN300-702531

Suppliers and Price of Methyl 2-[(2-aminoethyl)sulfanyl]benzoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Methyl 2-[(2-aminoethyl)sulfanyl]benzoate

Chemical Property:

XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:211.06669983
Heavy Atom Count:14
Complexity:187

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CC=CC=C1SCCN

Technology Process of Methyl 2-[(2-aminoethyl)sulfanyl]benzoate

There total 2 articles about Methyl 2-[(2-aminoethyl)sulfanyl]benzoate 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:

: C₁₀H₁₁N₃O₂S

: 104864-66-6
2-(2-Amino-ethylsulfanyl)-benzoic acid methyl ester

Guidance literature:: C₁₀H₁₁N₃O₂S; With triphenylphosphine; In tetrahydrofuran; at 55 ℃; for 1h;

With water; In tetrahydrofuran; for 2h;

Reference yield:

: 4892-02-8
Methyl thiosalicylate

: 104864-66-6
2-(2-Amino-ethylsulfanyl)-benzoic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / Cooling with ice

1.2: 0.5 h / 20 °C / Cooling with ice

2.1: triphenylphosphine / tetrahydrofuran / 1 h / 55 °C

2.2: 2 h

With sodium hydride; triphenylphosphine; In tetrahydrofuran; N,N-dimethyl-formamide; mineral oil;