3-Methoxy-2-Propenenitrile

Base Information

• Chemical Name: 3-Methoxy-2-Propenenitrile
• CAS No.: 60838-50-8
• Molecular Formula: C4H5NO
• Molecular Weight: 83.0898
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID401311648
• Mol file: 60838-50-8.mol

Synonyms:3-Methoxy-2-Propenenitrile;2-Propenenitrile, 3-methoxy-;3-methoxy-acrylonitrile;IPCRTSDORDQHRO-UHFFFAOYSA-N;DTXSID401311648;AKOS024015159;FT-0615982

Chemical Property of 3-Methoxy-2-Propenenitrile

Chemical Property:

• Appearance/Colour: Clear slightly yellow liquid
• Vapor Pressure: 1.01mmHg at 25°C
• Melting Point: 76°C
• Refractive Index: n20/D 1.455(lit.)
• Boiling Point: 178.1 °C at 760 mmHg
• Flash Point: 76.1 °C
• PSA: 33.02000
• Density: 0.945 g/cm³
• LogP: 0.67008
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 83.037113783
• Heavy Atom Count: 6
• Complexity: 87

Purity/Quality:

97% ^*data from raw suppliers

3-Methoxyacrylonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37-7/9

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC=CC#N
• Uses: 3-Methoxyacrylonitrile may be used in the synthesis of 5-amino-1-hydroxyethylpyrazole, an intermediate of cefoselis sulfate. It may be used in the synthesis of 3-aminoacrylonitrile, an important intermediate for the synthesis of biologically active substances.2

Technology Process of 3-Methoxy-2-Propenenitrile

There total 1 articles about 3-Methoxy-2-Propenenitrile 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:

methanol (67-56-1) + β-Chloroacrylonitrile (871-29-4) → 3-methoxy-2-propenenitrile (60838-50-8)

Guidance literature:

With potassium hydroxide;

Reference yield: 91.0%

3-methoxy-2-propenenitrile (60838-50-8) + 3-bromophenylhydrazine hydrochloride (27246-81-7) → 3-amino-1-(3-bromophenyl)-1H-pyrazole (1215007-10-5)

Guidance literature:

With sodium ethanolate; In ethanol; for 20h; Reflux;

DOI:10.1016/j.bmcl.2009.10.138

Reference yield: 90.0%

3-methoxy-2-propenenitrile (60838-50-8) + phenylhydrazine (100-63-0) → 1-phenylpyrazol-5-amine (826-85-7)

Guidance literature:

With acetic acid; In toluene; at 120 ℃; for 1h; Solvent; Time; Reagent/catalyst; Sealed tube; Microwave irradiation;

DOI:10.1016/j.tet.2013.07.055

upstream raw materials:

methanol

β-Chloroacrylonitrile

Downstream raw materials:

(E)-3-[(E)-2-(3-Methyl-isoxazol-5-yl)-1-phenyl-vinylamino]-acrylonitrile

3-(3-Methyl-isoxazol-5-yl)-2-phenyl-pyridin-4-ylamine

(2E)-3-methoxy-2-propenoic acid

(Z)-3-methoxypropenenitrile