3-[(Tetrahydrofuran-2-ylmethyl)amino]propanenitrile

Base Information

• Chemical Name: 3-[(Tetrahydrofuran-2-ylmethyl)amino]propanenitrile
• CAS No.: 90322-18-2
• Molecular Formula: C₈H₁₄N₂O
• Molecular Weight: 154.212
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID80381389
• Mol file: 90322-18-2.mol

Synonyms:90322-18-2;3-[(tetrahydrofuran-2-ylmethyl)amino]propanenitrile;3-(oxolan-2-ylmethylamino)propanenitrile;3-(((Tetrahydrofuran-2-yl)methyl)amino)propanenitrile;3-{[(Oxolan-2-yl)methyl]amino}propanenitrile;3-[(Tetrahydro-2-furanylmethyl)amino]-propanenitrile;SCHEMBL2482065;DTXSID80381389;ZSKZHSOMHSHFDF-UHFFFAOYSA-N;MFCD00121811;AKOS002671286;MS-22052;BB 0255049;CS-0330408;FT-0614814;A916551;3-((tetrahydrofuran-2-yl)methylamino)propanenitrile;J-511446;3-[(Tetrahydro-2-furanylmethyl)amino]- propanenitrile;3-[(tetrahydro-furan-2-ylmethyl)-amino]-propionitrile;PROPANENITRILE,3-[[(TETRAHYDRO-2-FURANYL)METHYL]AMINO]-

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

Chemical Property:

• Vapor Pressure: 0.00179mmHg at 25°C
• Boiling Point: 292.8°Cat760mmHg
• Flash Point: 130.9°C
• PSA: 45.05000
• Density: 1.01g/cm³
• LogP: 1.05958
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 154.110613074
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: 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: C1CC(OC1)CNCCC#N

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

There total 2 articles about 3-[(Tetrahydrofuran-2-ylmethyl)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:

TETRAHYDROFURFURYLAMINE (4795-29-3) + acrylonitrile (107-13-1,25014-41-9) → β-(Tetrahydrofurfurylamino)-propionitril (90322-18-2)

Guidance literature:

In toluene; Heating;

DOI:10.1016/S0960-894X(98)00491-0

Reference yield:

→ β-(Tetrahydrofurfurylamino)-propionitril (90322-18-2)

Guidance literature:

Reference yield:

β-(Tetrahydrofurfurylamino)-propionitril (90322-18-2) + 3,4-dimethoxybenzene-1-sulfonyl chloride (23095-31-0) → N-(2-Cyano-ethyl)-3,4-dimethoxy-N-(tetrahydro-furan-2-ylmethyl)-benzenesulfonamide (185299-49-4)

Guidance literature:

With triethylamine; In dichloromethane;

DOI:10.1016/S0960-894X(98)00491-0

upstream raw materials:

TETRAHYDROFURFURYLAMINE

acrylonitrile

Downstream raw materials:

N-(2-Cyano-ethyl)-3,4-dimethoxy-N-(tetrahydro-furan-2-ylmethyl)-benzenesulfonamide

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