2-Chloro-4-methoxybenzaldehyde

Base Information

• Chemical Name: 2-Chloro-4-methoxybenzaldehyde
• CAS No.: 54439-75-7
• Molecular Formula: C7H5ClO2
• Molecular Weight: 170.595
• Hs Code.: 2913000090
• European Community (EC) Number: 809-403-3
• DSSTox Substance ID: DTXSID20429431
• Nikkaji Number: J1.189.115B
• Wikidata: Q72452992
• Mol file: 54439-75-7.mol

Synonyms:2-chloro-4-methoxybenzaldehyde;54439-75-7;Benzaldehyde, 2-chloro-4-methoxy-;2-chloro-4-methoxy-benzaldehyde;MFCD01741722;2-chlor-4-methoxybenzaldehyd;SCHEMBL1236491;DTXSID20429431;YWGKOEQZKMSICW-UHFFFAOYSA-N;CL8267;AKOS000118032;CS-W005706;GS-4186;SB37607;SY030189;2-chloro-4-methoxybenzaldehyde, AldrichCPR;AM20061102;FT-0742990;EN300-24290;A830180;J-519666;Z178955320

Chemical Property of 2-Chloro-4-methoxybenzaldehyde

Chemical Property:

• Vapor Pressure: 0.007mmHg at 25°C
• Melting Point: 64℃
• Refractive Index: 1.564
• Boiling Point: 272.5 °C at 760 mmHg
• Flash Point: 118.6 °C
• PSA: 26.30000
• Density: 1.404 g/cm³
• LogP: 2.16110
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• 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:

98%min ^*data from raw suppliers

2-Chloro-4-methoxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chloro-4-methoxybenzaldehyde

There total 12 articles about 2-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: 70.0%

2-chloro-4-hydroxybenzaldehyde (56962-11-9) + methyl iodide (74-88-4) → 2-chloro-4-methoxybenzaldehyde (54439-75-7)

Guidance literature:

With potassium carbonate; In water; N,N-dimethyl-formamide;

Reference yield:

methyl iodide (74-88-4) → 2-chloro-4-methoxybenzaldehyde (54439-75-7)

Guidance literature:

2-chloro-4-hydroxybenzaldehyde; With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 0.5h;

methyl iodide; In N,N-dimethyl-formamide; at 20 ℃; for 16h;

Reference yield:

4-methoxy-benzaldehyde (123-11-5) → 2-chloro-4-methoxybenzaldehyde (54439-75-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / HCl / methanol

2: 1.) t-BuLi, 2.) PhSO₂Cl / 1.) Et₂O, hexane, -25 deg C, 3 h, 2.) room temperature, 1 h

With hydrogenchloride; tert.-butyl lithium; benzenesulfonyl chloride; In methanol;

DOI:10.1021/jm00396a012

upstream raw materials:

hydrogen cyanide

1-chloro-3-methoxy-benzene

2-chloro-4-nitrobenzaldehyde

sodium methylate

Downstream raw materials:

C₃₀H₂₆Cl₂N₂O₄

(Z)-1-(2-chloro-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethene

(E)-1-(2-chloro-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethene

1-(2-chloro-4-methoxyphenyl)propan-2-one

Refernces

• 1、 -. "NOVEL FXR (NR1H4 ) BINDING AND ACTIVITY MODULATING COMPOUNDS". Page/Page column 69. . Retrieved 2011/04/13.
• 2、 -. "1-SUBSTITUTED-3- BETA-D-GLUCOPYRANOSYLATED NITROGENOUS HETERO- CYCLIC COMPOUNDS AND MEDICINES CONTAINING THE SAME". Page/Page column 23. . Retrieved 2008/06/13.