Benzo[b]thiophen-2-amine

Base Information

• Chemical Name: Benzo[b]thiophen-2-amine
• CAS No.: 4521-30-6
• Molecular Formula: C8H7NS
• Molecular Weight: 149.0
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40501364
• Nikkaji Number: J80.851B
• Mol file: 4521-30-6.mol

Synonyms:Benzo[b]thiophen-2-amine;4521-30-6;1-benzothiophen-2-amine;2-Aminobenzo[b]thiophene;benzothiophene amine;Benzothiophen-2-amine;amino benzo[b]thiophene;SCHEMBL847512;DTXSID40501364;VJYJBBMMLIDJEF-UHFFFAOYSA-N;MFCD18072620;AKOS006342371;GS-3986;BB 0262574;EN300-256528

Chemical Property of Benzo[b]thiophen-2-amine

Chemical Property:

• Melting Point: 115-117 °C
• Boiling Point: 313.15 °C at 760 mmHg
• PKA: 3.79±0.10(Predicted)
• Flash Point: 143.188 °C
• PSA: 54.26000
• Density: 1.294 g/cm³
• LogP: 3.06470
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 149.02992040
• Heavy Atom Count: 10
• Complexity: 126

Purity/Quality:

97% ^*data from raw suppliers

Benzo[b]thiophen-2-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C(S2)N

Technology Process of Benzo[b]thiophen-2-amine

There total 13 articles about Benzo[b]thiophen-2-amine 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: 91.0%

2-(tert-butoxycarbonylamino)benzothiophene (89673-36-9) → benzo[b]thiophen-2-amine (4521-30-6)

Guidance literature:

2-(tert-butoxycarbonylamino)benzothiophene; With trifluoroacetic acid; In dichloromethane; for 12h;

With sodium hydroxide; In dichloromethane;

Reference yield: 80.0%

2-(2-(benzylthio)phenyl)acetonitrile (4521-44-2) → benzo[b]thiophen-2-amine (4521-30-6)

Guidance literature:

With aluminum tri-bromide;

DOI:10.1002/jhet.5570300442

Reference yield: 64.0%

2-(2-bromophenyl)acetonitrile (19472-74-3) → benzo[b]thiophen-2-amine (4521-30-6)

Guidance literature:

With 1,1'-bis-(diphenylphosphino)ferrocene; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; Sodium thiosulfate pentahydrate; caesium carbonate; In ethylene glycol; N,N-dimethyl-formamide; at 140 ℃; for 12h; Reagent/catalyst; Solvent; Temperature; Sealed tube; Inert atmosphere;

DOI:10.1021/ol502381e

upstream raw materials:

2-(2-(benzylthio)phenyl)acetonitrile

2-Azidobenzothiophene

dimethyl amine

diethylamine

Downstream raw materials:

2-(4-aminophenyl)benzothiazole

C₁₈H₁₁NO₂S

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