3-Chloro-2-formylbenzoic acid

Base Information

• Chemical Name: 3-Chloro-2-formylbenzoic acid
• CAS No.: 169310-05-8
• Molecular Formula: C8H5 Cl O3
• Molecular Weight: 184.579
• Hs Code.: 2918300090
• European Community (EC) Number: 676-277-2
• DSSTox Substance ID: DTXSID10439206
• Wikidata: Q82255119
• Mol file: 169310-05-8.mol

Synonyms:3-Chloro-2-formylbenzoic acid;169310-05-8;3-Choro-2-formylbenzoic acid;3-chloro-2-formyl-benzoic Acid;3-Chloro-2-formylbenzoicacid;SCHEMBL12760748;DTXSID10439206;AKOS005209303;CS-0231615;FT-0745952;EN300-1091200;Z1198309548

Chemical Property of 3-Chloro-2-formylbenzoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.633
• Boiling Point: 340.344°C at 760 mmHg
• Flash Point: 159.635°C
• PSA: 54.37000
• Density: 1.47g/cm³
• 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-2-FORMYLBENZOICACID 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Chloro-2-formylbenzoic acid

There total 3 articles about 3-Chloro-2-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: 67.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 3-chlorobenzoate (535-80-8) → 3-chloro-2-formylbenzoic acid (169310-05-8)

Guidance literature:

3-chlorobenzoate; With 2,2,6,6-tetramethyl-piperidine; n-butyllithium; In tetrahydrofuran; hexane; at -50 ℃; for 3h;

N,N-dimethyl-formamide; In tetrahydrofuran; hexane; at 20 ℃; for 18h;

Reference yield:

5-chloro-1,2,3,4-tetrahydronaphthalene (3468-80-2) → 3-chloro-2-formylbenzoic acid (169310-05-8)

Guidance literature:

(oxidation);

Reference yield:

1-amino-5,6,7,8-tetrahydronaphthalene (2217-41-6) → 3-chloro-2-formylbenzoic acid (169310-05-8)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) (diazotization), (ii) Cu₂Cl₂

2: (oxidation)

upstream raw materials:

5-chloro-1,2,3,4-tetrahydronaphthalene

N,N-dimethyl-formamide

3-chlorobenzoate

1-amino-5,6,7,8-tetrahydronaphthalene