2-(Benzo[b]thiophen-3-yl)ethanamine

Base Information

• Chemical Name: 2-(Benzo[b]thiophen-3-yl)ethanamine
• CAS No.: 14585-66-1
• Molecular Formula: C10H11 N S
• Molecular Weight: 177.27
• Hs Code.: 2934999090
• European Community (EC) Number: 630-830-4
• DSSTox Substance ID: DTXSID00163169
• Nikkaji Number: J41.937K
• Wikidata: Q83032026
• Mol file: 14585-66-1.mol

Synonyms:14585-66-1;2-(Benzo[b]thiophen-3-yl)ethanamine;Benzo[b]thiophene-3-ethanamine;2-(1-benzothiophen-3-yl)ethanamine;3-beta-Aminoethylbenzothiophene;BRN 0125512;3-(2-Aminoethyl)benzothiophene;2-(1-benzothiophen-3-yl)ethan-1-amine;2-benzo[b]thiophen-3-ylethylamine;3-(2-Aminoethyl)benzo(b)thiophene;2-(benzo[b]thiophen-3-yl)ethan-1-amine;Benzo(b)thiophene-3-ethanamine;BENZO(b)THIOPHENE-3-ETHYLAMINE;Benzo(b)thiophene-3-ethanamine (9CI);4-18-00-07170 (Beilstein Handbook Reference);SCHEMBL277679;benzo[b]thiophen-3-ylethylamine;2-(3-benzo[b]thienyl)ethylamine;DTXSID00163169;2-(1-benzothien-3-yl)ethanamine;2-benzo[b]thiophen-3yl-ethylamine;2-(Benzo[b]thien-3-yl)ethylamine;Benzo[b]thiophene-3-ethan-1-amine;2-Benzo[b]thiophen-3-yl-ethylamine;2-(1-benzothiophen-3-yl)ethylamine;MFCD01663502;AKOS009290406;2-(benzo[b]thiophen-3-yl)-ethyl-amine;BS-13699;LS-41206;CS-0270270;EN300-58170

Chemical Property of 2-(Benzo[b]thiophen-3-yl)ethanamine

Chemical Property:

• Vapor Pressure: 0.000449mmHg at 25°C
• Boiling Point: 315°Cat760mmHg
• PKA: 10.02±0.10(Predicted)
• Flash Point: 144.3°C
• PSA: 54.26000
• Density: 1.185g/cm³
• LogP: 3.10280
• Storage Temp.: 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 177.06122053
• Heavy Atom Count: 12
• Complexity: 149

Purity/Quality:

98% +predominantly trans ^*data from raw suppliers

2-(benzo[b]thiophen-3-yl)ethanamine 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CS2)CCN

Technology Process of 2-(Benzo[b]thiophen-3-yl)ethanamine

There total 9 articles about 2-(Benzo[b]thiophen-3-yl)ethanamine 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: 78.0%

2-(benzo[b]thiophen-3-yl)acetonitrile (3216-48-6) → 3-(2-aminoethyl)-benzothiophene (14585-66-1)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran-d8;

DOI:10.1039/c5md00258c

Reference yield:

(2-(benzo[b]thiophen-3-yl)ethyl)carbamic acid tert-butyl ester (920506-44-1) → 3-(2-aminoethyl)-benzothiophene (14585-66-1)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 24h;

Reference yield:

3-(2-nitrovinyl)benzo[b]thiophene → 3-(2-aminoethyl)-benzothiophene (14585-66-1)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 65 ℃; for 3h; Inert atmosphere; Schlenk technique;

DOI:10.1002/anie.202102518

upstream raw materials:

2-(benzo[b]thiophen-3-yl)acetonitrile

3-chloromethylbenzothiophene

Benzo[b]thiophene

(2-(benzo[b]thiophen-3-yl)ethyl)carbamic acid tert-butyl ester

Downstream raw materials:

N-<2-(3-benzothienyl)ethyl>benzamide

1,2,3,4-tetrahydro-benzo[4,5]thieno[2,3-c]pyridine

1-phenyl-1,2,3,4-tetrahydro<1>benzothieno<2,3-c>pyridine

N-<2-(<1>benzothiophen-3-yl)ethyl>-4-oxo-4-phenylbutanamide