1-Benzofuran-5-ylmethylamine

Base Information

• Chemical Name: 1-Benzofuran-5-ylmethylamine
• CAS No.: 37798-08-6
• Molecular Formula: C9H9NO
• Molecular Weight: 147.177
• Hs Code.: 2932999099
• European Community (EC) Number: 800-329-7
• DSSTox Substance ID: DTXSID20383569
• Wikidata: Q82175349
• ChEMBL ID: CHEMBL4555015
• Mol file: 37798-08-6.mol

Synonyms:1-Benzofuran-5-ylmethylamine;37798-08-6;5-(Aminomethyl)benzofuran;Benzofuran-5-ylmethanamine;1-benzofuran-5-ylmethanamine;5-(Aminomethyl)benzo[b]furan;(1-benzofuran-5-yl)methanamine;1-(1-Benzofuran-5-yl)methanamine;1-benzofuran-5-ylmethanamine hydrochloride;MFCD04974039;SDCCGMLS-0065942.P001;c-benzofuran-5-yl-methylamine;SCHEMBL111709;CHEMBL4555015;DTXSID20383569;OFMIMSPBHXZKRI-UHFFFAOYSA-N;BBL100229;STL553800;AKOS006346719;PS-3544;1-benzofuran-5-ylmethylamine, AldrichCPR;SY027400;FT-0647089;EN300-299068;F13229;A823880;J-504226

Chemical Property of 1-Benzofuran-5-ylmethylamine

Chemical Property:

• Vapor Pressure: 0.0174mmHg at 25°C
• Melting Point: 32-34°C
• Refractive Index: 1.628
• Boiling Point: 254.3 °C at 760 mmHg
• Flash Point: 107.6 °C
• PSA: 39.16000
• Density: 1.164 g/cm³
• LogP: 2.59180
• Storage Temp.: 2-8°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 147.068413911
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

98%min ^*data from raw suppliers

5-(Aminomethyl)benzo[b]furan 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,Xi
• Statements: 34-36
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CO2)C=C1CN

Technology Process of 1-Benzofuran-5-ylmethylamine

There total 4 articles about 1-Benzofuran-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: 54.0%

5-azidomethyl-benzofuran (773092-55-0) → (1-benzofuran-5-yl)methanamine (37798-08-6)

Guidance literature:

With hydrogen; nickel; In tetrahydrofuran;

Reference yield:

benzo[b]furan-5-carbonitrile (79002-39-4) → (1-benzofuran-5-yl)methanamine (37798-08-6)

Guidance literature:

With ammonia; hydrogen; In methanol; water; at 20 ℃; for 23h;

DOI:10.1002/ardp.201500365

Reference yield:

5-bromobenzofuran (23145-07-5) → (1-benzofuran-5-yl)methanamine (37798-08-6)

Guidance literature:

Multi-step reaction with 2 steps

1: N,N-dimethyl-formamide / 12 h / Inert atmosphere; Reflux

2: lithium aluminium tetrahydride / tetrahydrofuran / 6 h / 20 °C / Reflux

With lithium aluminium tetrahydride; In tetrahydrofuran; N,N-dimethyl-formamide;

DOI:10.3390/molecules23020252

upstream raw materials:

5-azidomethyl-benzofuran

benzo[b]furan-5-carbonitrile

5-bromobenzofuran

Downstream raw materials:

C₂₅H₁₉ClN₄O₂

methyl 4-(N-(benzofuran-5-ylmethyl)sulfamoyl)benzoate

methyl 4-(N-(benzofuran-5-ylmethyl)-N-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)sulfamoyl)benzoate

4-(N-(benzofuran-5-ylmethyl)-N-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)sulfamoyl)benzoic acid

Refernces

• 1、 Montalv?o, Sofia,Leino, Teppo O.,Kiuru, Paula S.,Lillsunde, Katja-Emilia,Yli-Kauhaluoma, Jari,Tammela, P?ivi. "Synthesis and Biological Evaluation of 2-Aminobenzothiazole and Benzimidazole Analogs Based on the Clathrodin Structure". . p. 137 - 149. Retrieved 2016/02/09.