3-[(2-Furylmethyl)amino]propanenitrile

Base Information

• Chemical Name: 3-[(2-Furylmethyl)amino]propanenitrile
• CAS No.: 6788-68-7
• Molecular Formula: C8H10 N2 O
• Molecular Weight: 150.18
• Hs Code.: 2932190090
• European Community (EC) Number: 822-036-3
• DSSTox Substance ID: DTXSID00366234
• Wikidata: Q82151366
• ChEMBL ID: CHEMBL4521632
• Mol file: 6788-68-7.mol

Synonyms:6788-68-7;3-[(2-Furylmethyl)amino]propanenitrile;3-(furan-2-ylmethylamino)propanenitrile;3-((Furan-2-ylmethyl)amino)propanenitrile;3-(furfurylamino)propionitrile;Propanenitrile,3-[(2-furanylmethyl)amino]-;3-[(furan-2-ylmethyl)amino]propanenitrile;SCHEMBL6745896;CHEMBL4521632;DTXSID00366234;HGGLROFYOVWSRZ-UHFFFAOYSA-N;HMS1782N18;MFCD00219840;STK975543;AKOS001044514;SB61128;3-[(Fur-2-ylmethyl)amino]propanenitrile;FT-0614799;3-{[(furan-2-yl)methyl]amino}propanenitrile;EN300-16256;J-511422;Z53115918

Chemical Property of 3-[(2-Furylmethyl)amino]propanenitrile

Chemical Property:

• Boiling Point: 142 °C
• PSA: 48.96000
• LogP: 1.67378
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 150.079312947
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

99%, ^*data from raw suppliers

3-[(2-Furylmethyl)amino]propanenitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xi
• Hazard Codes: C,Xi,Xn
• Statements: 22
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39:Wear suitabl

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=COC(=C1)CNCCC#N

Technology Process of 3-[(2-Furylmethyl)amino]propanenitrile

There total 3 articles about 3-[(2-Furylmethyl)amino]propanenitrile 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%

furan-2-ylmethanamine (617-89-0) + acrylonitrile (107-13-1,25014-41-9) → 3-((furan-2-ylmethyl)amino)propanenitrile (6788-68-7)

Guidance literature:

With carbon nanodots; In water; at 25 ℃; for 0.25h;

DOI:10.1021/acs.joc.6b02914

Reference yield:

furan-2-ylmethanamine (617-89-0) + bromopropionitrile (2417-90-5) → 3-((furan-2-ylmethyl)amino)propanenitrile (6788-68-7)

Guidance literature:

furan-2-ylmethanamine; With sodium hydride; In N,N-dimethyl-formamide; at 0 - 25 ℃; for 0.5h;

bromopropionitrile; In N,N-dimethyl-formamide; at 25 ℃; for 16h;

DOI:10.1016/j.ejmech.2018.09.065

Reference yield:

→ 3-((furan-2-ylmethyl)amino)propanenitrile (6788-68-7)

Guidance literature:

upstream raw materials:

furan-2-ylmethanamine

acrylonitrile

bromopropionitrile

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