3-Chloro-4-methoxybenzaldehyde

Base Information

• Chemical Name: 3-Chloro-4-methoxybenzaldehyde
• CAS No.: 4903-09-7
• Molecular Formula: C8H7ClO2
• Molecular Weight: 170.595
• Hs Code.: 29130000
• European Community (EC) Number: 225-532-2
• DSSTox Substance ID: DTXSID50197671
• Nikkaji Number: J262.523G
• Wikidata: Q77280147
• Metabolomics Workbench ID: 115460
• Mol file: 4903-09-7.mol

Synonyms:3-chloro-4-methoxybenzaldehyde

Chemical Property of 3-Chloro-4-methoxybenzaldehyde

Chemical Property:

• Vapor Pressure: 0.00738mmHg at 25°C
• Melting Point: 56-60 °C
• Refractive Index: 1.564
• Boiling Point: 269.1 °C at 760 mmHg
• Flash Point: 120.7 °C
• PSA: 26.30000
• Density: 1.244 g/cm³
• LogP: 2.16110
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Air Sensitive
• Solubility.: soluble in Methanol
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 170.0134572
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

99%, ^*data from raw suppliers

3-Chloro-4-methoxybenzenecarbaldehyde ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C=O)Cl

Technology Process of 3-Chloro-4-methoxybenzaldehyde

There total 20 articles about 3-Chloro-4-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%

3-chloro-4-methoxybenzyl alcohol (14503-45-8) → 3-chloro-4-methoxy-benzaldehyde (4903-09-7)

Guidance literature:

With 4 A molecular sieve; pyridinium chlorochromate; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1271/bbb.66.697

Reference yield: 97.5%

4-methoxy-benzaldehyde (123-11-5) → 3-chloro-4-methoxy-benzaldehyde (4903-09-7)

Guidance literature:

With N-chloro-N-(benzenesulfonyl)benzenesulfonamide; In acetonitrile; at 20 - 25 ℃; for 0.166667h; Green chemistry;

DOI:10.1016/j.tetlet.2020.152689

Reference yield: 97.0%

4-hydroxy-3-chlorobenzaldehyde (2420-16-8) + methyl iodide (74-88-4) → 3-chloro-4-methoxy-benzaldehyde (4903-09-7)

Guidance literature:

upstream raw materials:

hydrogen cyanide

2-Chloroanisole

N,N-dichloro-p-toluenesulfonamide

4-methoxy-benzaldehyde

Downstream raw materials:

3-chloro-4-methoxycinnamic acid

[1-(3-Chloro-4-methoxy-phenyl)-meth-(E)-ylidene]-(2,2-dimethoxy-ethyl)-amine

N-(3-chloro-4-methoxybenzyl)formamide

(E)-1-(3-bromo-2-hydroxy-5-methylphenyl)-3-(3-chloro-4-methoxyphenyl)-2-propen-1-one

Refernces

• 1、 Misal, Balu,Palav, Amey,Ganwir, Prerna,Chaturbhuj, Ganesh. "Activator free, expeditious and eco-friendly chlorination of activated arenes by N-chloro-N-(phenylsulfonyl)benzene sulfonamide (NCBSI)". supporting information. . Retrieved 2021/01/04.
• 2、 Rogers, David A.,Bensalah, Adam T.,Espinosa, Alvaro Tomas,Hoerr, John L.,Refai, Fares H.,Pitzel, Amy K.,Alvarado, Juan J.,Lamar, Angus A.. "Amplification of Trichloroisocyanuric Acid (TCCA) Reactivity for Chlorination of Arenes and Heteroarenes via Catalytic Organic Dye Activation". supporting information. p. 4229 - 4233. Retrieved 2019/06/17.