3-Chloro-5-formylbenzoic acid

Base Information

• Chemical Name: 3-Chloro-5-formylbenzoic acid
• CAS No.: 153203-59-9
• Molecular Formula: C8H5ClO3
• Molecular Weight: 184.579
• European Community (EC) Number: 838-369-2
• Nikkaji Number: J1.483.035I
• Mol file: 153203-59-9.mol

Synonyms:3-CHLORO-5-FORMYLBENZOIC ACID;153203-59-9;MFCD20658588;3-formyl-5-chlorobenzoic acid;SCHEMBL8979368;LWVHCYUHVMWJLJ-UHFFFAOYSA-N;3-CHLORO-5-FORMYLBENZOICACID;AC4465;AKOS024202721;AB76525;BS-23096;DA-09937;SY026329;CS-0374155;EN300-624281;Z1262556297

Chemical Property of 3-Chloro-5-formylbenzoic acid

Chemical Property:

• PSA: 54.37000
• LogP: 1.85070
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 183.9927217
• Heavy Atom Count: 12
• Complexity: 193

Purity/Quality:

97% ^*data from raw suppliers

3-Chloro-5-formylbenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1C(=O)O)Cl)C=O

Technology Process of 3-Chloro-5-formylbenzoic acid

There total 1 articles about 3-Chloro-5-formylbenzoic acid 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:

oxalyl dichloride (79-37-8) + 3-chloro-5-hydroxymethylbenzoic acid (153203-56-6) → 3-chloro-5-formylbenzoic acid (153203-59-9)

Guidance literature:

With triethylamine; In dichloromethane; dimethyl sulfoxide;

Reference yield: 35.0%

3-chloro-5-formylbenzoic acid (153203-59-9) + 3-hydroxy-1,1-dimethylguanidine (29044-27-7) → 3-chloro-5-(3-(dimethylamino)-1,2,4-oxadiazol-5-yl)benzaldehyde

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In 1,4-dioxane; at 50 ℃; for 14h;

Reference yield:

3-chloro-5-formylbenzoic acid (153203-59-9) → 3-formyl-5-chlorobenzoyl chloride (153203-60-2)

Guidance literature:

With thionyl chloride; In N-methyl-acetamide; toluene;

upstream raw materials:

oxalyl dichloride

3-chloro-5-hydroxymethylbenzoic acid

Downstream raw materials:

3-formyl-5-chlorobenzoyl chloride