8-Oxo-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid

Base Information

• Chemical Name: 8-Oxo-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
• CAS No.: 77635-17-7
• Molecular Formula: C₁₁H₁₀O₃
• Molecular Weight: 190.199
• DSSTox Substance ID: DTXSID701213001
• Mol file: 77635-17-7.mol

Synonyms:8-oxo-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid;77635-17-7;SCHEMBL3075146;PZRRKRMQHIZTGR-UHFFFAOYSA-N;DTXSID701213001;AC8616;MFCD18648041;AKOS006320027;SY264601;CS-0455743;FT-0735221;8-oxo-6,7-dihydro-5H-naphthalene-1-carboxylic acid;5,6,7,8-Tetrahydro-8-oxo-1-naphthalenecarboxylic acid

Chemical Property of 8-Oxo-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid

Chemical Property:

• PSA: 54.37000
• LogP: 1.90380
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 190.062994177
• Heavy Atom Count: 14
• Complexity: 259

Purity/Quality:

97% ^*data from raw suppliers

8-Oxo-5,6,7,8-tetrahydronaphthalene-1-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(C(=O)C1)C(=CC=C2)C(=O)O

Technology Process of 8-Oxo-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid

There total 6 articles about 8-Oxo-5,6,7,8-tetrahydronaphthalene-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: 58.0%

8-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid (74145-11-2) → 8-oxo-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid (77635-17-7)

Guidance literature:

With chromium(VI) oxide; In water; acetic acid; at 45 ℃; for 3.5h;

DOI:10.1055/s-1981-29337

Reference yield:

8-Methyl-1,2,3,4-tetrahydronaphthalin-1-on (51015-28-2) → 8-oxo-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid (77635-17-7)

Guidance literature:

With perhydrodibenzo-18-crown-6; potassium permanganate; In benzene; at 20 ℃; for 120h;

DOI:10.1080/00397919908086474

Reference yield:

1,2,3,4-Tetrahydro-1-naphthol (529-33-9) → 8-oxo-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid (77635-17-7)

Guidance literature:

Multi-step reaction with 2 steps

2: 58 percent / CrO₃ / acetic acid; H₂O / 3.5 h / 45 °C

With chromium(VI) oxide; In water; acetic acid;

DOI:10.1055/s-1981-29337

upstream raw materials:

8-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid

8-Methyl-1,2,3,4-tetrahydronaphthalin-1-on

8-methyl-1,2,3,4-tetrahydro-naphthalen-1-ol

1-methyl-5-benzoyl-5,6,7,8-tetrahydronaphthalene

Downstream raw materials:

3-Oxo-2-phenyl-2,3,8,9-tetrahydro-7H-benzocinnoline