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

Base Information

• Chemical Name: (1R)-1,2,3,4-Tetrahydronaphthalene-1-carboxylic acid
• CAS No.: 23357-47-3
• Molecular Formula: C11H12O2
• Molecular Weight: 176.215
• Hs Code.: 2916399090
• European Community (EC) Number: 681-841-6
• DSSTox Substance ID: DTXSID20503907
• Nikkaji Number: J1.951.543E
• Wikidata: Q72505282
• Mol file: 23357-47-3.mol

Synonyms:23357-47-3;(R)-1,2,3,4-Tetrahydronaphthoic acid;(R)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid;(R)-1,2,3,4-Tetrahedronaphthoic acid;(1R)-1,2,3,4-Tetrahydronaphthalene-1-carboxylic acid;(R)-1,2,3,4-TETRAHYDRO-1-NAPHTHOIC ACID;(R)-1,2,3,4-Tetrahydro-naphthoic acid;1-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-, (1R)-;(R)-1,2,3,4-TETR-AHYDRO NAPHTHOIC ACID;MFCD07368364;1-Naphthalenecarboxylicacid, 1,2,3,4-tetrahydro-, (1R)-;SCHEMBL2792830;DTXSID20503907;VDLWTJCSPSUGOA-SNVBAGLBSA-N;CK2436;AKOS006344682;AC-8866;AS-11929;(R)-1,2,3,4-tert-Ahydro naphthoic acid;CS-0008705;EN300-7386105;A851836;Q-100995;(R)-1,2,3,4-Tetrahydro-1-naphthoic acid, AldrichCPR;(R)-1,2,3,4-TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID

Chemical Property of (1R)-1,2,3,4-Tetrahydronaphthalene-1-carboxylic acid

Chemical Property:

• Vapor Pressure: 2.85E-05mmHg at 25°C
• Melting Point: 56-58℃
• Refractive Index: 1.576
• Boiling Point: 342.7 °C at 760 mmHg
• PKA: 4.28±0.20(Predicted)
• Flash Point: 156.4 °C
• PSA: 26.02000
• Density: 1.186 g/cm³
• LogP: 2.90690
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Ethyl Acetate (Slightly), Methanol (Slightly)
• Water Solubility.: Slightly soluble in water.
• 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

(R)-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
• Isomeric SMILES: C1C[C@H](C2=CC=CC=C2C1)C(=O)O
• Uses: Intermediate in the preparation of Dipeptidyl Boronate Proteasome Inhibitors. It is a palonosetron intermediate. Tetrahydronaphthoic acid is used for the construction of sterically constrained protein turn models.

Technology Process of (1R)-1,2,3,4-Tetrahydronaphthalene-1-carboxylic acid

There total 3 articles about (1R)-1,2,3,4-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:

C11H12O2*C20H24N2O2 → (R)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid (23357-47-3)

Guidance literature:

With hydrogenchloride; In water; at 60 ℃; pH=1 - 2;

Reference yield:

4-oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid (3123-46-4) → (R)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid (23357-47-3)

Guidance literature:

Multi-step reaction with 2 steps

1: amalgamated zinc; aqueous HCl

2: ueber das Cinchonin-Salz

With hydrogenchloride; amalgamated zinc;

Reference yield:

tetralin-1-carboxylic acid (1914-65-4) → (R)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid (23357-47-3)

Guidance literature:

ueber das Cinchonin-Salz;

upstream raw materials:

tetralin-1-carboxylic acid

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

Downstream raw materials:

tetralin-1-carboxylic acid

Refernces