1-(3,4-Dimethoxyphenyl)cyclopropanecarbonitrile

Base Information

• Chemical Name: 1-(3,4-Dimethoxyphenyl)cyclopropanecarbonitrile
• CAS No.: 20802-15-7
• Molecular Formula: C12H13NO2
• Molecular Weight: 203.241
• Hs Code.: 2902190000
• NSC Number: 134308
• DSSTox Substance ID: DTXSID80300010
• Nikkaji Number: J2.228.654D
• Wikidata: Q82042760
• Mol file: 20802-15-7.mol

Synonyms:1-(3,4-dimethoxyphenyl)cyclopropanecarbonitrile;20802-15-7;1-(3,4-dimethoxyphenyl)cyclopropane-1-carbonitrile;MFCD01314306;NSC134308;Oprea1_155368;SCHEMBL77276;DTXSID80300010;PZVYROVODMATJD-UHFFFAOYSA-N;AKOS009265692;NSC-134308;AS-68453;SY123066;CS-0036222;FT-0752513;EN300-1847079;AS-871/43475714;Cyclopropanecarbonitrile, 1-(3,4-dimethoxyphenyl)-;J-503087;1-(3,4-dimethoxyphenyl)-cyclopropane-1-carbonitrile

Chemical Property of 1-(3,4-Dimethoxyphenyl)cyclopropanecarbonitrile

Chemical Property:

• Vapor Pressure: 5.82E-05mmHg at 25°C
• Melting Point: 69.2-69.7 °C
• Boiling Point: 346.3°Cat760mmHg
• Flash Point: 134.5°C
• PSA: 42.25000
• Density: 1.15g/cm³
• LogP: 2.25898
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 203.094628657
• Heavy Atom Count: 15
• Complexity: 277

Purity/Quality:

97% ^*data from raw suppliers

1-(3,4-Dimethoxyphenyl)cyclopropanecarbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C2(CC2)C#N)OC

Technology Process of 1-(3,4-Dimethoxyphenyl)cyclopropanecarbonitrile

There total 5 articles about 1-(3,4-Dimethoxyphenyl)cyclopropanecarbonitrile 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: 58.0%

3,4-dimethoxyphenylacetonitrile (93-17-4) + 1-Bromo-2-chloroethane (107-04-0) → 1-(3,4-dimethoxyphenyl)cyclopropanecarbonitrile (20802-15-7)

Guidance literature:

With potassium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; at 50 ℃; for 9h;

Reference yield: 56.0%

[1,3]-dioxolan-2-one (96-49-1) + 3,4-dimethoxyphenylacetonitrile (93-17-4) → 1-(3,4-dimethoxyphenyl)cyclopropanecarbonitrile (20802-15-7)

Guidance literature:

With potassium carbonate; at 145 - 150 ℃; for 1h;

DOI:10.1016/j.tetlet.2005.08.050

Reference yield: 34.4%

3,4-dimethoxyphenylacetonitrile (93-17-4) → 1-(3,4-dimethoxyphenyl)cyclopropanecarbonitrile (20802-15-7)

Guidance literature:

With potassium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In water; at 20 ℃; for 3h; Sonographic reaction;

upstream raw materials:

3,4-dimethoxyphenylacetonitrile

1-Bromo-2-chloroethane

[1,3]-dioxolan-2-one

Downstream raw materials:

1-(3,4-dimethoxyphenyl)cyclopropanecarbaldehyde

N-(3-(1H-imidazol-1-yl)propyl)-1-(3,4-dimethoxyphenyl)cyclopropanecarboxamide

1-(3,4-dimethoxyphenyl)cyclopropanecarboxylic acid