4-Ethoxy-3-Methoxyphenylacetonitrile

Base Information

• Chemical Name: 4-Ethoxy-3-Methoxyphenylacetonitrile
• CAS No.: 103796-52-7
• Molecular Formula: C11H13 N O2
• Molecular Weight: 191.23
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID50397553
• Wikidata: Q82199004
• Mol file: 103796-52-7.mol

Synonyms:4-Ethoxy-3-Methoxyphenylacetonitrile;103796-52-7;2-(4-ethoxy-3-methoxyphenyl)acetonitrile;4-Ethoxy-3-methoxyphenylacetonitrile,;SCHEMBL7315399;DTXSID50397553;GRTNZZWHXYRVDL-UHFFFAOYSA-N;MFCD00016402;AKOS006344169;(4-ethoxy-3-methoxyphenyl)acetonitrile;CS-0299271;FT-0676189;EN300-1840295

Chemical Property of 4-Ethoxy-3-Methoxyphenylacetonitrile

Chemical Property:

• Vapor Pressure: 0.000587mmHg at 25°C
• Melting Point: 54-56°C
• Refractive Index: 1.508
• Boiling Point: 310.8°Cat760mmHg
• Flash Point: 117.9°C
• PSA: 42.25000
• Density: 1.061g/cm³
• LogP: 2.15998
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 191.094628657
• Heavy Atom Count: 14
• Complexity: 209

Purity/Quality:

97% ^*data from raw suppliers

4-Ethoxy-3-methoxyphenylacetonitrile ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C=C(C=C1)CC#N)OC

Technology Process of 4-Ethoxy-3-Methoxyphenylacetonitrile

There total 4 articles about 4-Ethoxy-3-Methoxyphenylacetonitrile 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:

1-ethoxy-4-chloromethyl-2-methoxy-benzene (53979-18-3) + sodium cyanide (143-33-9,25596-52-5) → 4-ethoxy-3-methoxybenzylcyanide (103796-52-7)

Guidance literature:

With benzene;

DOI:10.1021/ja01166a009

Reference yield:

(4-ethoxy-3-methoxy-phenyl)-pyruvic acid (66488-86-6) → 4-ethoxy-3-methoxybenzylcyanide (103796-52-7)

Guidance literature:

With acetic anhydride;

DOI:10.1039/jr9350000120

Reference yield:

1-ethoxy-4-chloromethyl-2-methoxy-benzene (53979-18-3) → 4-ethoxy-3-methoxybenzylcyanide (103796-52-7)

Guidance literature:

With chlorobenzene;

upstream raw materials:

(4-ethoxy-3-methoxy-phenyl)-pyruvic acid

1-ethoxy-4-chloromethyl-2-methoxy-benzene

sodium cyanide

3-(4-ethoxy-3-methoxy-phenyl)-2-hydroxyimino-propionic acid

Downstream raw materials:

4'-ethoxy-2-hydroxy-4,6,3'-trimethoxy-deoxybenzoin

3-(4-ethoxy-3-methoxy-phenyl)-5,7-dimethoxy-chromen-4-one

2-(4-ethoxy-3-methoxyphenyl)ethylamine