Benzo[b]thiophen-2-ylmethanamine

Base Information

• Chemical Name: Benzo[b]thiophen-2-ylmethanamine
• CAS No.: 6314-43-8
• Molecular Formula: C9H9 N S
• Molecular Weight: 163.243
• Hs Code.: 2934999090
• European Community (EC) Number: 802-241-4
• NSC Number: 40287
• UNII: D9FKN7348U
• DSSTox Substance ID: DTXSID50285047
• Nikkaji Number: J673.441C
• Wikidata: Q72440034
• Pharos Ligand ID: SL4D6T7RHHKD
• ChEMBL ID: CHEMBL1770735
• Mol file: 6314-43-8.mol

Synonyms:benzo[b]thiophen-2-ylmethanamine;6314-43-8;1-benzothiophen-2-ylmethylamine;Benzo[b]thiophene-2-methanamine;1-benzothiophen-2-ylmethanamine;c-benzo[b]thiophen-2-yl-methylamine;(1-benzothiophen-2-yl)methanamine;D9FKN7348U;CHEMBL1770735;2-(aminomethyl)benzo[b]thiophene;MFCD00965305;NSC-40287;Benzo(b)thiophene-2-methanamine;Benzo(b)thiophene-2-methylamine;Benzo[b]thiophene-2-methylamine;NSC40287;ChemDiv2_001947;UNII-D9FKN7348U;Oprea1_679404;Oprea1_824414;2-(Aminomethyl)benzothiophene;SCHEMBL240588;1-Benzothiophen-2ylmethylamine;((Benzothien-2-yl)methyl)amine;DTXSID50285047;1-benzothiophene-2-yl methylamine;2-(Aminomethyl)-1-benzothiophene;2-(Aminomethyl)[1]benzothiophene;HMS1374I11;C-Benzo[b]thiophen-2-ylmethylamine;BDBM50342656;NSC 40287;STK064350;1-(1-benzothiophen-2-yl)methanamine;AKOS001688870;FS-2137;SDCCGMLS-0065963.P001;SY034711;1-benzothiophen-2-ylmethylamine, AldrichCPR;AM20040912;CS-0187843;FT-0607370;EN300-55374;A24376;J-519699

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

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 58 °C
• Boiling Point: 110-12°C 0,25mm
• Flash Point: 137.564°C
• PSA: 54.26000
• Density: 1.227g/cm³
• LogP: 3.06030
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 163.04557046
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

97% ^*data from raw suppliers

2-(Aminomethyl)benzo[b]thiophene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C,Xn
• Statements: 34-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 5 articles about Benzo[b]thiophen-2-ylmethanamine 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:

benzo[b]thiophene-2-carbaldehyde oxime (276692-18-3) → N-[(benzo[b]thiophen-2-yl)methyl]amine (6314-43-8)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃; for 6h; Reflux;

DOI:10.3390/molecules23020252

Reference yield:

benzo[b]thiophene-2-carboxamide (6314-42-7) → N-[(benzo[b]thiophen-2-yl)methyl]amine (6314-43-8)

Guidance literature:

With lithium aluminium tetrahydride; diethyl ether;

DOI:10.1021/ja01123a024

Reference yield:

benzothiophene-2-carboxylic acid chloride (39827-11-7) → N-[(benzo[b]thiophen-2-yl)methyl]amine (6314-43-8)

Guidance literature:

Multi-step reaction with 2 steps

1: ammonium hydroxide / water; dichloromethane / 1 h / 0 - 20 °C

2: lithium aluminium tetrahydride / tetrahydrofuran / 4 h / 0 °C / Reflux

With ammonium hydroxide; lithium aluminium tetrahydride; In tetrahydrofuran; dichloromethane; water;

DOI:10.1039/c8md00474a

upstream raw materials:

benzo[b]thiophene-2-carboxamide

Benzo[b]thiophene

benzo[b]thiophene-2-carbaldehyde oxime

benzothiophene-2-carboxylic acid chloride

Downstream raw materials:

2-adamantan-1-yl-N-benzo[b]thiophen-2-ylmethyl-acetamide

benzo[b]thiophen-2-ylmethyl-{4-[4-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-5-yl]pyridin-2-yl}amine

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