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

Base Information

• Chemical Name: 1,2,3,4-Tetrahydro-1-naphthoic acid
• CAS No.: 1914-65-4
• Molecular Formula: C11H12O2
• Molecular Weight: 176.215
• Hs Code.: 2916399090
• European Community (EC) Number: 641-736-8
• ChEMBL ID: CHEMBL81606
• DSSTox Substance ID: DTXSID80940758
• Nikkaji Number: J60.090C
• Mol file: 1914-65-4.mol

Synonyms:1914-65-4;1,2,3,4-Tetrahydro-1-naphthoic acid;1,2,3,4-tetrahydronaphthalene-1-carboxylic acid;1-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-;1,2,3,4-Tetrahydro-naphthalene-1-carboxylic acid;Tetralin-1-carboxylic Acid;MFCD02179127;1,2,3,4-tetrahydro-1-naphthalenecarboxylic acid;CHEMBL81606;1,2,3,4-Tetrahedro-naphthoic acid;MFCD07368364;MFCD07368365;1-TETRALINCARBOXYLIC ACID;(S)-(-)-1,2,3,4-Tetrahedro-naphthoic acid;tetrahydronaphthoic acid;SCHEMBL242244;F2191-0014;DTXSID80940758;VDLWTJCSPSUGOA-UHFFFAOYSA-N;1,2,3,4-Tetrahedronaphthoic acid;BCP08831;BDBM50022451;AKOS001452907;AKOS016842282;AB11024;CS-W019746;FS-2878;SB44573;SY002157;SY021995;SY107224;(S)-1, 2, 3, 4-Tetrahydronaphthoic acid;AM20061133;FT-0600924;FT-0602580;FT-0642021;T2903;EN300-30407;1,2,3,4-tetrahydro-1-naphthoic acid, AldrichCPR;1,2,3,4-tetrahydro-naphthalen-1-carboxylic acid;A813492;A816684;AE-842/31479032;J-503767;Z235361249

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

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 75-77°C
• Refractive Index: 1.576
• Boiling Point: 342.653 °C at 760 mmHg
• PKA: 4.28±0.20(Predicted)
• Flash Point: 156.408 °C
• PSA: 37.30000
• Density: 1.186 g/cm³
• LogP: 2.19110
• Storage Temp.: Refrigerator
• Solubility.: Soluble in methanol, and chloroform.
• XLogP3: 2.4
• 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:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36-51
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C2=CC=CC=C2C1)C(=O)O
• Uses: 1,2,3,4-Tetrahydro-1-naphthoic acid is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff. 1,2,3,4-tetrahydronaphthalene-1-carboxylic acid is a reagent used to produce protease inhibitors. 1,2,3,4-Tetrahydro-1-naphthoic acid is a reagent used to produce protease inhibitors.

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

There total 49 articles about 1,2,3,4-Tetrahydro-1-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: 92.0%

1,2-Dihydronaphthalene (447-53-0) + carbon dioxide (124-38-9,18923-20-1) → tetralin-1-carboxylic acid (1914-65-4)

Guidance literature:

1,2-Dihydronaphthalene; With 9-borabicyclo[3.3.1]nonane dimer; In 1,2-dimethoxyethane; at 70 ℃; for 24h; Glovebox;

carbon dioxide; With cesium fluoride; In 1,2-dimethoxyethane; at 120 ℃; for 24h; regioselective reaction; Glovebox;

DOI:10.1039/c9sc02467k

Reference yield: 85.0%

1,2,3,4-tetrahydro-1-naphthalenecarbaldehyde (155566-54-4,18278-24-5) → tetralin-1-carboxylic acid (1914-65-4)

Guidance literature:

With jones reagent; In acetone; at 0 ℃; for 0.0833333h;

DOI:10.1016/S0957-4166(01)00114-8

Reference yield: 72.3%

carbon dioxide (124-38-9,18923-20-1) + C10H11K → tetralin-1-carboxylic acid (1914-65-4)

Guidance literature:

With sulfuric acid; at -70 - 20 ℃; for 0.5h; Inert atmosphere;

upstream raw materials:

1-cyanotetraline

1-naphthalenecarboxylic acid

1,4-dihydro-1-naphthalenecarboxylic acid

3,4-dihydronaphthalene-1-carboxylic acid

Downstream raw materials:

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

1,2,3,4-tetrahydro-[1]naphthoic acid ethyl ester

(S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

(R)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

Refernces

• 1、 Gevorgyan, Ashot,Hopmann, Kathrin H.,Bayer, Annette. "Exploration of New Biomass-Derived Solvents: Application to Carboxylation Reactions". . p. 2080 - 2088. Retrieved 2020/02/20.
• 2、 Bazzi, Sakna,Schulz, Emmanuelle,Mellah, Mohamed. "Electrogenerated Sm(II)-Catalyzed CO2 Activation for Carboxylation of Benzyl Halides". supporting information. p. 10033 - 10037. Retrieved 2019/12/24.