1,2,3,4-Tetrahydro-2-naphthoic acid

Base Information

• Chemical Name: 1,2,3,4-Tetrahydro-2-naphthoic acid
• CAS No.: 53440-12-3
• Molecular Formula: C11H12O2
• Molecular Weight: 176.215
• Hs Code.: 2916399090
• European Community (EC) Number: 258-553-0
• NSC Number: 408608
• DSSTox Substance ID: DTXSID10871425
• Nikkaji Number: J267.348G
• Mol file: 53440-12-3.mol

Synonyms:1,2,3,4-Tetrahydro-2-naphthoic acid;53440-12-3;1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;Tetralin-2-carboxylic acid;1,2,3,4-Tetrahydro-2-naphthalenecarboxylic acid;2-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-;EINECS 258-553-0;MFCD00001741;1,2,3,4-tetrahydro-naphthalene-2-carboxylic acid;NSC408608;SCHEMBL367535;Tetrahydro-.beta.-naphthoic acid;AMY7764;DTXSID10871425;BCP26089;AKOS009158817;CS-W005360;FS-3781;NSC 408608;NSC-408608;SY046895;1,2,3,4-Tetrahydro-.beta.-naphthoic acid;FT-0640160;1,2,3,4-Tetrahydro-2-naphthoic acid, 98%;EN300-86135;1,2,3,4-tetrahydronaphthalen-2-carboxylic acid;AE-562/43460172;1,2,3,4-Tetrahydro-2-naphthalenecarboxylic acid #;F2173-1243;Z792377344

Chemical Property of 1,2,3,4-Tetrahydro-2-naphthoic acid

Chemical Property:

• Vapor Pressure: 2.61E-05mmHg at 25°C
• Melting Point: 93-96 °C(lit.)
• Refractive Index: 1.576
• Boiling Point: 343.9 °C at 760 mmHg
• PKA: 4.57±0.20(Predicted)
• Flash Point: 156.9 °C
• PSA: 37.30000
• Density: 1.186 g/cm³
• LogP: 1.87610
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.1
• 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:

98%,99%, ^*data from raw suppliers

1,2,3,4-Tetrahydro-2-naphthoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CC2=CC=CC=C2CC1C(=O)O
• Uses: 1,2,3,4-Tetrahydro-2-naphthoic Acid is used as a reagent in organic synthesis of several compounds including that of N-acyl-5-methyl-3(2H)-isoxazolone derivatives which show high potential as fungicides.

Technology Process of 1,2,3,4-Tetrahydro-2-naphthoic acid

There total 40 articles about 1,2,3,4-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: 90.0%

naphthalene-2-carboxylate (93-09-4) → 1,2,3,4-tetrahydro-2-naphthoic acid (53440-12-3)

Guidance literature:

With ammonia; lithium; In tetrahydrofuran; for 0.5h;

DOI:10.1016/0040-4020(82)85010-2

Reference yield: 85.0%

3-methoxy-2-naphthoic acid (883-62-5) → 1,2,3,4-tetrahydro-2-naphthoic acid (53440-12-3)

Guidance literature:

With ammonia; lithium; In tetrahydrofuran; for 0.5h;

DOI:10.1016/0040-4020(82)85010-2

Reference yield: 80.0%

4-methoxy-2-naphthoic acid (5773-93-3) → 1,2,3,4-tetrahydro-2-naphthoic acid (53440-12-3)

Guidance literature:

With ammonia; lithium; In tetrahydrofuran; for 0.5h;

DOI:10.1016/0040-4020(82)85010-2

upstream raw materials:

1,4-dihydro-[2]naphthoic acid

1,2-dihydro-2-naphthalenecarboxylic acid

3-methoxy-2-naphthoic acid

1,2,3,4,5,8-hexahydro-[2]naphthoic acid

Downstream raw materials:

1,2,3,4-tetrahydro-[2]naphthoyl chloride

3-(Carboxy)bicyclo<4.4.0>decane

Biphenyl-4-carboxylic acid (3aR,4R,5R,6aS)-2-oxo-4-((E)-3-oxo-3-(R)-1,2,3,4-tetrahydro-naphthalen-2-yl-propenyl)-hexahydro-cyclopenta[b]furan-5-yl ester

Biphenyl-4-carboxylic acid (3aR,4R,5R,6aS)-2-oxo-4-((E)-3-oxo-3-(S)-1,2,3,4-tetrahydro-naphthalen-2-yl-propenyl)-hexahydro-cyclopenta[b]furan-5-yl ester

Refernces

• 1、 Liao, Yang,Zhou, Yi,Zhang, Zhen,Fan, Junzhen,Liu, Feng,Shi, Zhangjie. "Intramolecular Oxidative Coupling between Unactivated Aliphatic C-H and Aryl C-H Bonds". supporting information. p. 1251 - 1257. Retrieved 2021/03/03.
• 2、 Seo, Hyowon,Liu, Aofei,Jamison, Timothy F.. "Direct β-Selective Hydrocarboxylation of Styrenes with CO2 Enabled by Continuous Flow Photoredox Catalysis". supporting information. p. 13969 - 13972. Retrieved 2017/10/17.