Tetrahydrofuran-3-carbonitrile

Base Information

• Chemical Name: Tetrahydrofuran-3-carbonitrile
• CAS No.: 14631-44-8
• Molecular Formula: C5H7NO
• Molecular Weight: 97.1167
• Hs Code.: 2932190090
• European Community (EC) Number: 839-561-9
• DSSTox Substance ID: DTXSID00436820
• Nikkaji Number: J1.815.622I
• Mol file: 14631-44-8.mol

Synonyms:tetrahydrofuran-3-carbonitrile;14631-44-8;Oxolane-3-carbonitrile;3-FURANCARBONITRILE, TETRAHYDRO-;Tetrahydro-furan-3-carbonitrile;3-CYANOTETRAHYDROFURAN;MFCD08669507;Tetrahydro-3-furancarbonitrile;3-oxolanecarbonitrile;AMY2709;DTXSID00436820;AKOS010133921;CS-W004270;PB11493;PB19741;PB22187;AS-60826;SY042080;FT-0653957;EN300-50525;A808483;F8889-7303;Z605647006

Chemical Property of Tetrahydrofuran-3-carbonitrile

Chemical Property:

• Vapor Pressure: 0.226mmHg at 25°C
• Refractive Index: 1.445
• Boiling Point: 207.41 °C at 760 mmHg
• Flash Point: 84.339 °C
• PSA: 33.02000
• Density: 1.043 g/cm³
• LogP: 0.54648
• Storage Temp.: 2-8°C
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 97.052763847
• Heavy Atom Count: 7
• Complexity: 102

Purity/Quality:

99% ^*data from raw suppliers

Oxolane-3-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCC1C#N

Technology Process of Tetrahydrofuran-3-carbonitrile

There total 15 articles about Tetrahydrofuran-3-carbonitrile 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: 100.0%

→ 3-cyanotetrahydrofuran (14631-44-8)

Guidance literature:

Reference yield: 96.0%

3-chlorotetrahydrofuran (19311-38-7) + sodium cyanide (143-33-9,25596-52-5) → 3-cyanotetrahydrofuran (14631-44-8)

Guidance literature:

With tetrakis[tris(dimethylamino)phosphoranylideneamino]phosphonium chloride; tris phosphate; In DMF (N,N-dimethyl-formamide); at 130 ℃; for 6h;

Reference yield: 88.0%

2-chloroethyl-2-cyanoethanol → 3-cyanotetrahydrofuran (14631-44-8)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; at 40 - 60 ℃; for 1h; Temperature;

upstream raw materials:

3-chlorotetrahydrofuran

sodium cyanide

tetrahydrofuran-3-yl trifluoromethanesulfonate

tetrahydro-3-furanyl tosylate

Downstream raw materials:

(tetrahydro-3-furanyl)methylamine

N-(4-Fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-2-(tetrahydrofuran-3-yl)-1,6-dihydropyrimidine-4-carboxamide

N-(4-fluoro-2-(3-(2-methoxyethyl)-2-oxoimidazolidin-1-yl)benzyl)-5-hydroxy-1-methyl-6-oxo-2-(tetrahydrofuran-3-yl)-1,6-dihydropyrimidine-4-carboxamide

N-(4-fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)benzyl)-5-hydroxy-1-methyl-6-oxo-2-(tetrahydrofuran-3-yl)-1,6-dihydropyrimidine-4-carboxamide

Refernces

• 1、 -. "Preparation method of 3-aminomethyltetrahydrofuran serving as dinotefuran intermediate". . . Retrieved 2018/07/07.
• 2、 -. "Preparation method of 3-aminomethyl tetrahydrofuran". Paragraph 0022; 0032-0034. . Retrieved 2017/07/12.