7-Chloronaphthalene-1-carboxylic acid

Base Information

• Chemical Name: 7-Chloronaphthalene-1-carboxylic acid
• CAS No.: 58926-30-0
• Molecular Formula: C11H7ClO2
• Molecular Weight: 206.62500
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID80534893
• Nikkaji Number: J2.422.915G
• Wikidata: Q82408938
• Mol file: 58926-30-0.mol

Synonyms:7-Chloro-1-naphthoic acid;58926-30-0;7-Chloronaphthalene-1-carboxylic acid;7-CHLORO-NAPHTHALENE-1-CARBOXYLIC ACID;7-Chloro-1-naphthoicacid;SCHEMBL23088115;DTXSID80534893;MFCD17012332;SB37813;CS-0322857;C16036

Chemical Property of 7-Chloronaphthalene-1-carboxylic acid

Chemical Property:

• PSA: 37.30000
• LogP: 3.19140
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 206.0134572
• Heavy Atom Count: 14
• Complexity: 229

Purity/Quality:

97% ^*data from raw suppliers

7-Chloro-1-naphthoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C(C=C2)Cl)C(=C1)C(=O)O

Technology Process of 7-Chloronaphthalene-1-carboxylic acid

There total 11 articles about 7-Chloronaphthalene-1-carboxylic 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: 92.8%

1-(7-chloronaphthalen-1-yl)ethan-1-one (58149-93-2) → 7-chloronaphthalene-1-carboxylic acid (58926-30-0)

Guidance literature:

With sodium hypochlorite; In ethanol; at 28 ℃; for 15h;

Reference yield:

2-furoic acid methyl ester (611-13-2) + chlorobenzene (108-90-7) → 6-chloro-1-naphthoic acid (16650-53-6) + 7-chloronaphthalene-1-carboxylic acid (58926-30-0)

Guidance literature:

With aluminium trichloride;

DOI:10.1021/ja01852a015 DOI:10.1021/jo01173a003 DOI:10.1021/ja01185a521 DOI:10.1021/ja01261a035

Reference yield:

2-furanoic acid (88-14-2) → 7-chloronaphthalene-1-carboxylic acid (58926-30-0)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂SO₄

2: aluminium chloride

With aluminium trichloride; sulfuric acid;

DOI:10.1021/ja01852a015

upstream raw materials:

2-furoic acid methyl ester

chlorobenzene

7-chloro-1-(chloromethyl)naphthalene

5,7-dichloronaphthalene-1-carboxylic acid

Downstream raw materials:

methyl 7-chloro-1-naphthoate