2-(2-Methyl-1H-indol-3-ylsulfanyl)-ethylamine

Base Information

• Chemical Name: 2-(2-Methyl-1H-indol-3-ylsulfanyl)-ethylamine
• CAS No.: 61021-66-7
• Molecular Formula: C11H14N2S
• Molecular Weight: 206.30700
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50365919
• Wikidata: Q82150957
• ChEMBL ID: CHEMBL1719556
• Mol file: 61021-66-7.mol

Synonyms:61021-66-7;2-(2-Methyl-1H-indol-3-ylsulfanyl)-ethylamine;2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethanamine;2-[(2-METHYL-1H-INDOL-3-YL)THIO]ETHANAMINE;2-((2-Methyl-1H-indol-3-yl)thio)ethanamine;2-[(2-Methyl-1H-indol-3-yl)sulfanyl]ethan-1-amine;HMS2241E15;SMR000017517;MLS000103356;CHEMBL1719556;DTXSID50365919;HMS1653C10;AKOS005208181;EN300-237727;SR-01000012390;SR-01000012390-1;F1386-0286;Z1269201274;2-[(2-methyl-1H-indol-3-yl)thio]ethanamine, AldrichCPR

Chemical Property of 2-(2-Methyl-1H-indol-3-ylsulfanyl)-ethylamine

Chemical Property:

• Boiling Point: 383.0±37.0 °C(Predicted)
• PKA: 16?+-.0.30(Predicted)
• PSA: 67.11000
• Density: 1.21±0.1 g/cm3(Predicted)
• LogP: 3.22740
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 206.08776963
• Heavy Atom Count: 14
• Complexity: 186

Purity/Quality:

NLT 98% ^*data from raw suppliers

2-(2-Methyl-1H-indol-3-ylsulfanyl)-ethylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=CC=CC=C2N1)SCCN

Technology Process of 2-(2-Methyl-1H-indol-3-ylsulfanyl)-ethylamine

There total 4 articles about 2-(2-Methyl-1H-indol-3-ylsulfanyl)-ethylamine 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:

(2-Methyl-1H-indol-3-ylsulfanyl)-acetonitrile (61021-32-7) → 2-(2-Methyl-1H-indol-3-ylsulfanyl)-ethylamine (61021-66-7)

Guidance literature:

With boron trifluoride-tetrahydrofuran complex; In tetrahydrofuran; for 18h; Ambient temperature;

DOI:10.1021/jm00356a021

Reference yield:

2-methyl-1H-indole (95-20-5) → 2-(2-Methyl-1H-indol-3-ylsulfanyl)-ethylamine (61021-66-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) thiourea, I₂, KI, 2.) 1.5 N aq. NaOH / 1.) MeOH, RT, 2 h, 2.) MeOH, 90 deg C, 30 min

2: NaOH / methanol; H₂O; diethyl ether / 2 h / Ambient temperature

3: 1 M BF₃*THF / tetrahydrofuran / 18 h / Ambient temperature

With sodium hydroxide; boron trifluoride-tetrahydrofuran complex; iodine; thiourea; potassium iodide; In tetrahydrofuran; methanol; diethyl ether; water;

DOI:10.1021/jm00356a021

Reference yield:

Sodium; 2-methyl-1H-indole-3-thiolate → 2-(2-Methyl-1H-indol-3-ylsulfanyl)-ethylamine (61021-66-7)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOH / methanol; H₂O; diethyl ether / 2 h / Ambient temperature

2: 1 M BF₃*THF / tetrahydrofuran / 18 h / Ambient temperature

With sodium hydroxide; boron trifluoride-tetrahydrofuran complex; In tetrahydrofuran; methanol; diethyl ether; water;

DOI:10.1021/jm00356a021

upstream raw materials:

(2-Methyl-1H-indol-3-ylsulfanyl)-acetonitrile

2-methyl-1H-indole

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