4-Chloro-3-methoxybenzaldehyde

Base Information

• Chemical Name: 4-Chloro-3-methoxybenzaldehyde
• CAS No.: 13726-16-4
• Molecular Formula: C8H7ClO2
• Molecular Weight: 170.595
• Hs Code.: 2913000090
• European Community (EC) Number: 871-502-2
• DSSTox Substance ID: DTXSID10512720
• Metabolomics Workbench ID: 114148
• Nikkaji Number: J734.025G
• Wikidata: Q72489577
• Mol file: 13726-16-4.mol

Synonyms:4-chloro-3-methoxybenzaldehyde;13726-16-4;Benzaldehyde, 4-chloro-3-methoxy-;4-chloro-3-methoxy-benzaldehyde;MFCD07787490;SCHEMBL793813;4-Chloro-3-methyoxybenzaldehyde;4-chloro-3-methoxy benzaldehyde;DTXSID10512720;CHEBI:202324;4-Chloro-3-(methyloxy)benzaldehyde;CL4138;AKOS005259561;AB42981;AM84215;CS-W003440;GS-3931;SY021859;FT-0681747;EN300-120669;Z1198175109

Chemical Property of 4-Chloro-3-methoxybenzaldehyde

Chemical Property:

• Melting Point: 56-60?°C(lit.)
• Boiling Point: 265℃
• Flash Point: 118℃
• PSA: 26.30000
• Density: 1.244
• 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

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

Safty Information:

• Hazard Codes: Xi
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Chloro-3-methoxybenzaldehyde

There total 12 articles about 4-Chloro-3-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: 93.0%

(4-chloro-3-methoxyphenyl)methan-1-ol (13726-17-5) → 4-chloro-3-methoxybenzaldehyde (13726-16-4)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane;

DOI:10.1021/jm00101a018

Reference yield: 92.4%

1-chloro-4-dichloromethyl-2-methoxy-benzene (189942-81-2) + 2,2,2-trifluoroethanol (75-89-8) → 4-chloro-3-methoxybenzaldehyde bis-(2,2,2-trifluoroethyl)acetal (189942-82-3) + 4-chloro-3-methoxybenzaldehyde (13726-16-4)

Guidance literature:

2,2,2-trifluoroethanol; With sodium hydride; at 0 ℃;

1-chloro-4-dichloromethyl-2-methoxy-benzene; With silver carbonate; In 2,2,2-trifluoroethanol; at 0 - 85 ℃; for 1.58333h; Product distribution / selectivity;

Reference yield: 89.0%

2-chloro-5-methylanisole (73909-16-7) → 4-chloro-3-methoxybenzaldehyde (13726-16-4)

Guidance literature:

With ammonium cerium(IV) nitrate; acetic acid; In water; at 100 ℃; for 1.25h;

upstream raw materials:

3-hydroxy-4-chlorobenzaldehyde

dimethyl sulfate

(4-chloro-3-methoxyphenyl)methan-1-ol

formaldoxime

Downstream raw materials:

1-chloro-2-methoxy-4-[2-nitroprop-1-enyl]benzene

N-cyclooctyl-3-methoxy-4-chlorobenzylamine

1-chloro-2-methoxy-4-(2-nitrovinyl)benzene

2,4'-dichloro-3,3'-dimethoxy-benzhydrol

Refernces

• 1、 Popovsky,Stepanov,Grigorieva. "Preparation of (2E,4E)-2-(2-benzyloxyethyl)-5-(3-methoxy-4-chlorophenyl) penta-2,4-dienal as a key intermediate in the synthesis of strobilurin B". . p. 1616 - 1621. Retrieved 2013/11/19.
• 2、 -. "CHROMENE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY". Page/Page column 47. . Retrieved 2010/04/03.