1-Naphthalenepropionic acid

Base Information

• Chemical Name: 1-Naphthalenepropionic acid
• CAS No.: 3243-42-3
• Molecular Formula: C13H12 O2
• Molecular Weight: 200.237
• Hs Code.: 2916399090
• European Community (EC) Number: 671-468-7
• NSC Number: 405993,26065
• DSSTox Substance ID: DTXSID60186177
• Nikkaji Number: J391.381C
• Wikidata: Q83057413
• ChEMBL ID: CHEMBL1904054
• Mol file: 3243-42-3.mol

Synonyms:1-naphthalenepropionic acid;alpha-naphthyl propionate;alpha-naphthylpropionate

Chemical Property of 1-Naphthalenepropionic acid

Chemical Property:

• Vapor Pressure: 1.58E-06mmHg at 25°C
• Melting Point: 157-159°C
• Refractive Index: 1.5951 (estimate)
• Boiling Point: 382.3°Cat760mmHg
• PKA: 4.56±0.10(Predicted)
• Flash Point: 279.2°C
• PSA: 37.30000
• Density: 1.195g/cm³
• LogP: 2.85700
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly, Heated), Methanol (Slightly)
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 200.083729621
• Heavy Atom Count: 15
• Complexity: 225

Purity/Quality:

98%min ^*data from raw suppliers

3-(1-Naphthyl)propionicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC=C2CCC(=O)O

Technology Process of 1-Naphthalenepropionic acid

There total 4 articles about 1-Naphthalenepropionic 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: 89.0%

1-(3-(naphthalene-1-yl)propanoyloxy)-2(1H)-quinolone (1404369-01-2) → 1-Naphthalenepropanoic acid (3243-42-3) + 2-quinolone (59-31-4,70254-42-1,493-62-9)

Guidance literature:

In methanol; water; Quantum yield; UV-irradiation; Photolysis;

DOI:10.1002/chem.201104065

Reference yield:

3-(1-naphthalenyl)propionyl chloride (99124-56-8) + 1-hydroxycarbostyril (58-57-1) → 1-Naphthalenepropanoic acid (3243-42-3) + 2-quinolone (59-31-4,70254-42-1,493-62-9)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 12 h / 20 °C

2: water; methanol / UV-irradiation; Photolysis

With triethylamine; In methanol; dichloromethane; water;

DOI:10.1002/chem.201104065

Reference yield:

1-(ethoxycarbonyl)-1-(1-naphthylmethyl)-2-propanone (88022-93-9) → 1-Naphthalenepropanoic acid (3243-42-3) + 4-(1-naphthyl)-2-butanone (3506-84-1)

Guidance literature:

upstream raw materials:

1-(ethoxycarbonyl)-1-(1-naphthylmethyl)-2-propanone

3-(1-naphthalenyl)propionyl chloride

1-hydroxycarbostyril

1-(3-(naphthalene-1-yl)propanoyloxy)-2(1H)-quinolone

Downstream raw materials:

3-(1-naphthalenyl)propionyl chloride

3-(Naphth-1-yl)propan-1-ol

1,2-dihydro-cyclopenta[a]naphthalen-3-one

Perinaphthenon

Refernces

• 1、 -. "Glucocorticoid receptor modulators". . . Retrieved 2008/06/13.