2-(5-Bromobenzo[b]thiophen-3-yl)ethanamine hydrochloride

Base Information

• Chemical Name: 2-(5-Bromobenzo[b]thiophen-3-yl)ethanamine hydrochloride
• CAS No.: 22964-00-7
• Molecular Formula: C₁₀H₁₀BrNS*ClH
• Molecular Weight: 292.627
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50177514
• Mol file: 22964-00-7.mol

Synonyms:22964-00-7;2-(5-Bromobenzo[b]thiophen-3-yl)ethanamine hydrochloride;2-(5-Bromobenzo[b]thiophen-3-yl)ethanaminehydrochloride;Benzo(b)thiophene-3-ethylamine, 5-bromo-, hydrochloride;2-(5-bromo-1-benzothiophen-3-yl)ethanamine;hydrochloride;2-(5-bromo-1-benzothiophen-3-yl)ethan-1-amine hydrochloride;2-(5-Bromobenzo[b]thiophen-3-yl)ethanamine HCl;5-Bromobenzo(b)thiophene-3-ethylamine hydrochloride;2-(5-bromo-1-benzothiophen-3-yl)ethanamine hydrochloride;SCHEMBL23012014;DTXSID50177514;MFCD01663505;SC3131;AKOS015846696;DS-17257;CS-0060640;FT-0685770;EN300-7398194;2-(5-bromobenzo[b]thiophene-3-yl)ethaneamine hcl;A878368;2-(5-BROMOBENZO[B]THIOPHEN-3-YL)ETHANEAMINE HCL;Z1269157473

Chemical Property of 2-(5-Bromobenzo[b]thiophen-3-yl)ethanamine hydrochloride

Chemical Property:

• Boiling Point: 368.7°Cat760mmHg
• Flash Point: 176.8°C
• PSA: 54.26000
• Density: g/cm³
• LogP: 4.66730
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 290.94841
• Heavy Atom Count: 14
• Complexity: 176

Purity/Quality:

97% ^*data from raw suppliers

2-(5-Bromobenzo[b]thiophen-3-yl)ethanaminehydrochloride 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Br)C(=CS2)CCN.Cl

Technology Process of 2-(5-Bromobenzo[b]thiophen-3-yl)ethanamine hydrochloride

There total 5 articles about 2-(5-Bromobenzo[b]thiophen-3-yl)ethanamine hydrochloride 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: 70.0%

5-bromo-3-cyanomethylbenzo[b]thiophene (23799-61-3) → N-2-(5-bromobenzo[b]thiophen-3-yl)ethylamine hydrochloride (22964-00-7)

Guidance literature:

5-bromo-3-cyanomethylbenzo[b]thiophene; With borane-THF; In tetrahydrofuran; for 3h; Heating;

With hydrogenchloride; In tetrahydrofuran;

DOI:10.1211/146080800128735647

Reference yield:

5-bromo-3-methylbenzo[b]thiophene (1196-09-4) → N-2-(5-bromobenzo[b]thiophen-3-yl)ethylamine hydrochloride (22964-00-7)

Guidance literature:

Multi-step reaction with 3 steps

1.1: 56 percent / dibenzoyl peroxide; N-bromosuccinimide / CCl₄ / 4 h / Irradiation; reflux

2.1: 70 percent / dimethylsulfoxide / 1 h / 60 °C

3.1: borane-tetrahydrofuran complex / tetrahydrofuran / 3 h / Heating

3.2: 70 percent / hydrochloric acid / tetrahydrofuran

With N-Bromosuccinimide; borane-THF; dibenzoyl peroxide; In tetrahydrofuran; tetrachloromethane; dimethyl sulfoxide;

DOI:10.1211/146080800128735647

Reference yield:

5-bromo-3-bromomethylbenzothiophene (1757-24-0) → N-2-(5-bromobenzo[b]thiophen-3-yl)ethylamine hydrochloride (22964-00-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 70 percent / dimethylsulfoxide / 1 h / 60 °C

2.1: borane-tetrahydrofuran complex / tetrahydrofuran / 3 h / Heating

2.2: 70 percent / hydrochloric acid / tetrahydrofuran

With borane-THF; In tetrahydrofuran; dimethyl sulfoxide;

DOI:10.1211/146080800128735647

upstream raw materials:

5-bromo-3-cyanomethylbenzo[b]thiophene

5-bromo-3-methylbenzo[b]thiophene

5-bromo-3-bromomethylbenzothiophene

1-(4-bromophenylthio)propan-2-one

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