1-Benzothiophen-5-ylmethylamine

Base Information

• Chemical Name: 1-Benzothiophen-5-ylmethylamine
• CAS No.: 56540-52-4
• Molecular Formula: C₉H₉NS
• Molecular Weight: 163.243
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70383675
• Wikidata: Q82175465
• Pharos Ligand ID: V2T6A8LRYL3X
• ChEMBL ID: CHEMBL1922274
• Mol file: 56540-52-4.mol

Synonyms:56540-52-4;1-Benzothiophen-5-ylmethylamine;Benzo[B]Thiophen-5-Ylmethanamine;1-benzothiophen-5-ylmethanamine;(1-benzothien-5-ylmethyl)amine;CHEMBL1922274;(1-benzothiophen-5-yl)methanamine;(1-Benzothien-5-ylmethyl)amine hydrochloride;5-(Aminomethyl)benzo[b]thiophene;SDCCGMLS-0066057.P001;SCHEMBL112311;DTXSID70383675;QUXRGPGYJFNJAG-UHFFFAOYSA-N;BDBM50358745;C-Benzo[b]thiophen-5-yl-methylamine;MFCD04974043;STK352579;1-(1-benzothiophen-5-yl)methanamine;((benzo[b]thiophen-5-yl)methyl)amine;1-BENZOTHIOPHENE-5-METHYLAMINE;AKOS000506079;PS-3545;1-benzothiophen-5-ylmethylamine, AldrichCPR;BB 0219932;CS-0270714;FT-0660708;EN300-99117;J-519704

Chemical Property of 1-Benzothiophen-5-ylmethylamine

Chemical Property:

• Vapor Pressure: 0.000907mmHg at 25°C
• Melting Point: 41 °C
• Refractive Index: 1.691
• Boiling Point: 303.9 °C at 760 mmHg
• PKA: 9.00±0.30(Predicted)
• Flash Point: 137.6 °C
• PSA: 54.26000
• Density: 1.227 g/cm³
• LogP: 3.06030
• 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:

98%Min ^*data from raw suppliers

(1-benzothien-5-ylmethyl)amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CS2)C=C1CN

Technology Process of 1-Benzothiophen-5-ylmethylamine

There total 1 articles about 1-Benzothiophen-5-ylmethylamine 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:

5-bromomethyl-benzo[b]thiophene (10133-22-9) → benzo[b]thiophen-5-ylmethanamine (56540-52-4)

Guidance literature:

With ammonium hydroxide; In n-heptane; ethyl acetate; N,N-dimethyl-formamide;

Reference yield: 59.0%

benzo[b]thiophen-5-ylmethanamine (56540-52-4) + 2-(2,4-dichlorophenoxy)propionic acid (120-36-5) → C18H15Cl2NO2S

Guidance literature:

With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; at 20 ℃; for 16h;

DOI:10.1016/j.bmc.2015.01.011

upstream raw materials:

5-bromomethyl-benzo[b]thiophene

Refernces