8-Methoxy-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

Base Information

• Chemical Name: 8-Methoxy-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
• CAS No.: 16035-97-5
• Molecular Formula: C12H12O4
• Molecular Weight: 220.22
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID50435681
• Mol file: 16035-97-5.mol

Synonyms:16035-97-5;8-Methoxy-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;8-Methoxy-4-oxo-1,2,3,4-tetrahydro-naphthalene-2-carboxylic acid;8-methoxy-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylic Acid;5-methoxy-3-carboxy-1-tetralone;2-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-8-methoxy-4-oxo-;DTXSID50435681;AKOS015852137;SB34009;CS-0341896;8-Methoxy-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylicacid

Chemical Property of 8-Methoxy-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

Chemical Property:

• PSA: 63.60000
• LogP: 1.52490
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 220.07355886
• Heavy Atom Count: 16
• Complexity: 299

Purity/Quality:

97% ^*data from raw suppliers

8-Methoxy-4-oxo-1,2,3,4-tetrahydro-naphthalene-2-carboxylicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC2=C1CC(CC2=O)C(=O)O

Technology Process of 8-Methoxy-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

There total 10 articles about 8-Methoxy-4-oxo-1,2,3,4-tetrahydronaphthalene-2-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: 54.0%

(2-methoxy benzyl) succinic anhydride (32298-35-4) → 5-Methoxy-3-carboxy-tetralon-(1) (16035-97-5)

Guidance literature:

With aluminium trichloride; In nitrobenzene; for 0.0833333h;

DOI:10.1080/00397919208020492

Reference yield:

C12H13ClO4 → 5-Methoxy-3-carboxy-tetralon-(1) (16035-97-5)

Guidance literature:

With aluminum (III) chloride; In chloroform; at 0 ℃; for 0.5h;

DOI:10.1016/j.bmcl.2011.12.096

Reference yield:

2-(2-Methoxy-benzyl)-succinic acid diethyl ester → 5-Methoxy-3-carboxy-tetralon-(1) (16035-97-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 87.6 percent / H₂ / 10percent Pd/C / acetic acid

2: 88 percent / acetic anhydride / 2 h / Heating

3: 54 percent / AlCl₃ / nitrobenzene / 0.08 h

With aluminium trichloride; hydrogen; acetic anhydride; palladium on activated charcoal; In acetic acid; nitrobenzene;

DOI:10.1080/00397919208020492

upstream raw materials:

(2-methoxy benzyl) succinic anhydride

(2-methoxyphenyl)methanol

(2-methoxy benzyl) succinic acid

o-Methoxybenzyl chloride

Downstream raw materials:

8-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

8-methoxy-2-(di-n-propylamino)tetralin

(+/-)-8-OH-DPAT hydrobromide

8-Methoxy-(2R)-2-amino-1,2,3,4-tetrahydronaphthalene hydrochloride