3-Methoxybenzoyl cyanide

Base Information

• Chemical Name: 3-Methoxybenzoyl cyanide
• CAS No.: 23194-66-3
• Molecular Formula: C9H7 N O2
• Molecular Weight: 161.16
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID30494332
• Nikkaji Number: J2.619.641H
• Wikidata: Q82341615
• Mol file: 23194-66-3.mol

Synonyms:23194-66-3;3-METHOXYBENZOYL CYANIDE;(3-Methoxy-phenyl)-oxo-acetonitrile;(3-Methoxyphenyl)oxoacetonitrile;2-(3-methoxyphenyl)-2-oxoacetonitrile;m-Anisoyl cyanide;3-METHOXYBENZOYLCYANIDE;SCHEMBL10897886;DTXSID30494332;XXPLCTVJWFATQO-UHFFFAOYSA-N;3-Methoxybenzene-1-carbonyl cyanide;AB1478;MFCD06658461;2-BROMOPYRIDINE-3-SULFONICACID;AKOS006293128;SB35751;(3-METHOXYPHENYL)OXO-ACETONITRILE;Benzeneacetonitrile, 3-methoxy-alpha-oxo-;CS-0449853;FT-0690393;A816617

Chemical Property of 3-Methoxybenzoyl cyanide

Chemical Property:

• PSA: 50.09000
• LogP: 1.40148
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 161.047678466
• Heavy Atom Count: 12
• Complexity: 216

Purity/Quality:

98%Min ^*data from raw suppliers

(3-Methoxy-phenyl)-oxo-acetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)C(=O)C#N

Technology Process of 3-Methoxybenzoyl cyanide

There total 5 articles about 3-Methoxybenzoyl cyanide 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: 84.0%

1-Bromo-1-(3-methoxyphenyl)-acetonitril (27382-16-7) → 3-methoxybenzoyl cyanide (23194-66-3)

Guidance literature:

With silver nitrate; In acetonitrile; at 50 ℃; for 5h;

DOI:10.1016/j.tetlet.2008.06.034

Reference yield:

3-methoxyphenylacetonitrile (19924-43-7) → 3-methoxybenzoyl cyanide (23194-66-3)

Guidance literature:

With tert.-butylhydroperoxide; C₅₆H₅₃ClN₃P₂Ru⁽¹⁺⁾*F₆P^(1-); In benzene; at 40 ℃; for 18h; Inert atmosphere;

DOI:10.1002/open.201900130

Reference yield:

hydrogen cyanide (74-90-8) + m-anisoyl chloride (1711-05-3) → 3-methoxybenzoyl cyanide (23194-66-3)

Guidance literature:

With pyridine; diethyl ether;

upstream raw materials:

hydrogen cyanide

m-anisoyl chloride

1-Bromo-1-(3-methoxyphenyl)-acetonitril

3-methoxyphenylacetonitrile

Downstream raw materials:

3-methoxybenzonitrile

tert-butyl meta-methoxybenzoate

2-(cyano(dimethylamino)methyl)phenyl 3-methoxybenzoate

3-Methoxybenzoic acid

Refernces

• 1、 Li, Meina,Kong, Duanyang,Zi, Guofu,Hou, Guohua. "Rh-Catalyzed Asymmetric Hydrogenation of 1,2-Dicyanoalkenes". . p. 680 - 687. Retrieved 2017/04/26.