5-Chloro-2-methoxybenzaldehyde

Base Information

• Chemical Name: 5-Chloro-2-methoxybenzaldehyde
• CAS No.: 7035-09-8
• Molecular Formula: C8H7ClO2
• Molecular Weight: 170.595
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID10395454
• Wikidata: Q72452985
• Mol file: 7035-09-8.mol

Synonyms:5-chloro-2-methoxybenzaldehyde;7035-09-8;5-Chloro-2-methoxy-benzaldehyde;Benzaldehyde, 5-chloro-2-methoxy-;MFCD00033854;SCHEMBL95806;2-methoxy-5-chlorobenzaldehyde;DTXSID10395454;HXTWDGGMXZXOIV-UHFFFAOYSA-N;5-chloranyl-2-methoxy-benzaldehyde;BCP06178;AM1157;STK188435;AKOS000290659;CS-W017675;DS-11463;SY034456;5-Chloro-2-methoxybenzaldehyde, AldrichCPR;BB 0254318;FT-0600604;EN300-45157;A836852;Z57772473

Chemical Property of 5-Chloro-2-methoxybenzaldehyde

Chemical Property:

• Vapor Pressure: 0.00995mmHg at 25°C
• Melting Point: 75-79℃
• Refractive Index: 1.564
• Boiling Point: 264 °C at 760 mmHg
• Flash Point: 117.7 °C
• PSA: 26.30000
• Density: 1.224 g/cm³
• LogP: 2.16110
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Air Sensitive
• XLogP3: 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%,99%, ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22-36-51
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Chloro-2-methoxybenzaldehyde

There total 6 articles about 5-Chloro-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%

5-chlorosalicyclaldehyde (635-93-8) + methyl iodide (74-88-4) → 5-chloro-2-methoxybenzaldehyde (7035-09-8)

Guidance literature:

5-chlorosalicyclaldehyde; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 0 ℃; for 0.25h; Inert atmosphere;

methyl iodide; In N,N-dimethyl-formamide; mineral oil; at 0 - 21 ℃; Inert atmosphere;

DOI:10.1039/c0cc05160h

Reference yield: 93.0%

ortho-anisaldehyde (135-02-4) → 5-chloro-2-methoxybenzaldehyde (7035-09-8)

Guidance literature:

With calcium hypochlorite; acetic acid; In water; acetonitrile; Ambient temperature;

DOI:10.1016/S0040-4039(00)88577-9

Reference yield: 78.0%

dimethyl sulfate (77-78-1) + 5-chlorosalicyclaldehyde (635-93-8) → 5-chloro-2-methoxybenzaldehyde (7035-09-8)

Guidance literature:

With potassium carbonate; In acetone; for 12h; Reflux;

DOI:10.1021/acs.joc.7b02630

upstream raw materials:

tert-butylhypochlorite

ortho-anisaldehyde

dimethyl sulfate

5-chlorosalicyclaldehyde

Downstream raw materials:

(E)-3-(5-chloro-2-methoxyphenyl)-acrylic acid

5-Chlor-2-methoxy-β-nitrostyrol

5-(5'-chloro-2'-methoxyphenyl)imidazolidine-2,4-dione

5-chloro-2-methoxyphenol

Refernces

• 1、 -. "COMPOUNDS AS NLRP3 INFLAMMASOME INHIBITORS AND COMPOSITIONS AND USES THEREOF". Page/Page column 29. . Retrieved 2021/02/12.
• 2、 Jiang, Yuqi,He, Liu,Green, Jakob,Blevins, Hallie,Guo, Chunqing,Patel, Sulay Harsiddhbhai,Halquist, Matthew S.,McRae, MaryPeace,Venitz, Jürgen,Wang, Xiang-Yang,Zhang, Shijun. "Discovery of Second-Generation NLRP3 Inflammasome Inhibitors: Design, Synthesis, and Biological Characterization". . p. 9718 - 9731. Retrieved 2019/11/13.