5,6,7,8-Tetrahydro-2-naphthoic acid

Base Information

• Chemical Name: 5,6,7,8-Tetrahydro-2-naphthoic acid
• CAS No.: 1131-63-1
• Molecular Formula: C11H12O2
• Molecular Weight: 176.215
• Hs Code.: 2916399090
• European Community (EC) Number: 214-469-6
• NSC Number: 131342
• UNII: B84YP7QPC8
• DSSTox Substance ID: DTXSID90150285
• Nikkaji Number: J203.377A
• Wikidata: Q27116075
• Metabolomics Workbench ID: 54979
• Mol file: 1131-63-1.mol

Synonyms:1131-63-1;5,6,7,8-Tetrahydro-2-naphthoic acid;5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;1,2,3,4-Tetrahydronaphthalene-6-carboxylic acid;5,6,7,8-Tetrahydro-naphthalene-2-carboxylic acid;2-Naphthalenecarboxylic acid, 5,6,7,8-tetrahydro-;B84YP7QPC8;tetralin-beta-carboxylic acid;EINECS 214-469-6;MFCD01861899;NSC 131342;NSC-131342;5,6,7,8-Tetrahydro-2-naphthalenecarboxylic acid;UNII-B84YP7QPC8;SCHEMBL1713977;CHEBI:34447;DTXSID90150285;HMS1697I20;HMS3650C15;NSC131342;STK500340;5,6,7,8-Tetrahydro-2-naphthoicacid;AKOS000200683;1,2,3,4-tetrahydro-6-naphthoic acid;AS-67394;FT-0619803;5,6,7,8-Tetrahydro-2-naphthoic acid, 97%;EN300-18780;N11966;5,6,7,8-tetrahydronaphthalene-2-carboxylicacid;2-Naphthalenecarboxylicacid,5,6,7,8-tetrahydro-;2-NAPHTHOIC ACID, 5,6,7,8-TETRAHYDRO-;A894469;AE-562/43286930;SR-01000946768;J-002906;SR-01000946768-1;Q27116075;Z90124426;F2124-0810;NY5

Chemical Property of 5,6,7,8-Tetrahydro-2-naphthoic acid

Chemical Property:

• Vapor Pressure: 5.81E-05mmHg at 25°C
• Melting Point: 152-156 °C
• Refractive Index: 1.5425 (estimate)
• Boiling Point: 332.4 °C at 760 mmHg
• PKA: 4.41±0.20(Predicted)
• Flash Point: 152.5 °C
• PSA: 37.30000
• Density: 1.184 g/cm³
• LogP: 2.26360
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 176.083729621
• Heavy Atom Count: 13
• Complexity: 200

Purity/Quality:

97% ^*data from raw suppliers

5,6,7,8-Tetrahydronaphthalene-2-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CCC2=C(C1)C=CC(=C2)C(=O)O

Technology Process of 5,6,7,8-Tetrahydro-2-naphthoic acid

There total 49 articles about 5,6,7,8-Tetrahydro-2-naphthoic 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: 95.0%

ethyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate (105482-57-3) → 1,2,3,4-tetrahydro-2-naphthoic acid (1131-63-1)

Guidance literature:

ethyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate; With sodium hydroxide; water; In tetrahydrofuran; at 60 ℃; for 20h;

With hydrogenchloride; In water; pH=3 - 5;

Reference yield: 90.0%

methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate (23194-33-4) → 1,2,3,4-tetrahydro-2-naphthoic acid (1131-63-1)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; at 60 ℃; for 20h;

DOI:10.1021/jo00195a033

Reference yield: 80.0%

6-Acetyl-1,2,3,4-tetrahydronaphthalene (774-55-0) → 1,2,3,4-tetrahydro-2-naphthoic acid (1131-63-1)

Guidance literature:

With sodium hypobromide; In water; 1.) 3 h, 0 deg C; 2.) 2.5 h, room temp.;

DOI:10.1007/BF00810848

upstream raw materials:

6-Acetyl-1,2,3,4-tetrahydronaphthalene

oxalyl dichloride

tetralin

6-chloromethyl-1,2,3,4-tetrahydronaphthalene

Downstream raw materials:

ethyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate

1,2,4-benzene tricarboxylic acid

3-(Carboxy)bicyclo<4.4.0>decane

5,6,7,8-tetrahydronaphthalene-2-carbaldehyde