5-Cyano-2-methoxybenzaldehyde

Base Information

• Chemical Name: 5-Cyano-2-methoxybenzaldehyde
• CAS No.: 21962-53-8
• Molecular Formula: C9H7NO2
• Molecular Weight: 161.16
• European Community (EC) Number: 663-090-6
• DSSTox Substance ID: DTXSID90437124
• Nikkaji Number: J531.427E
• Wikidata: Q82252502
• Mol file: 21962-53-8.mol

Synonyms:5-Cyano-2-methoxybenzaldehyde;3-Formyl-4-methoxybenzonitrile;21962-53-8;3-formyl-4-methoxy-benzonitrile;3-cyano6-methoxybenzaldehyde;SCHEMBL5221782;DTXSID90437124;HJDXZGCTGAWUFZ-UHFFFAOYSA-N;MFCD13195275;5-Cyano-2-methoxybenzaldehyde, 97%;AKOS006336183;AS-60010;CS-0374114;FT-0687018;A51135;A851170

Chemical Property of 5-Cyano-2-methoxybenzaldehyde

Chemical Property:

• Melting Point: 115-120℃
• PSA: 50.09000
• LogP: 1.37938
• Storage Temp.: 2-8°C
• Sensitive.: Air Sensitive
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 161.047678466
• Heavy Atom Count: 12
• Complexity: 206

Purity/Quality:

97% ^*data from raw suppliers

5-Cyano-2-methoxybenzaldehyde 97% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Cyano-2-methoxybenzaldehyde

There total 10 articles about 5-Cyano-2-methoxybenzaldehyde 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: 99.0%

dicyanozinc (557-21-1) + 5-bromo-2-methoxybenzaldehyde (25016-01-7) → 5-cyano-2-methoxybenzaldehyde (21962-53-8)

Guidance literature:

tetrakis(triphenylphosphine) palladium⁽⁰⁾; In DMF (N,N-dimethyl-formamide); at 20 ℃; for 3h;

Reference yield: 88.0%

methanol (67-56-1) + 4-fluoro-3-formylbenzonitrile (146137-79-3) → 5-cyano-2-methoxybenzaldehyde (21962-53-8)

Guidance literature:

With sodium methylate; at 20 ℃;

DOI:10.1016/j.ejmech.2019.05.090

Reference yield: 88.0%

copper(l) cyanide + 3-formyl-4-methoxyphenylboronic acid (121124-97-8) → 5-cyano-2-methoxybenzaldehyde (21962-53-8)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 60 ℃; for 2h;

DOI:10.1002/adsc.201000747

upstream raw materials:

copper(I) cyanide

5-bromo-2-methoxybenzaldehyde

dicyanozinc

ortho-anisaldehyde

Downstream raw materials:

2-Methoxy-5-(2H-tetrazol-5-yl)-benzaldehyde

(Z)-3-(5-Cyano-2-methoxy-phenyl)-acrylic acid methyl ester

5-cyano-2-methoxybenzaldoxime

(Z)-4-methoxy-3-((2-methyl-5-oxooxazol-4(5H)-ylidene)methyl)benzonitrile