[(3-Hydroxynaphthalen-2-yl)oxy]acetic acid

Base Information

• Chemical Name: [(3-Hydroxynaphthalen-2-yl)oxy]acetic acid
• CAS No.: 72836-74-9
• Molecular Formula: C₁₂H₁₀O₄
• Molecular Weight: 218.209
• DSSTox Substance ID: DTXSID40700719
• Wikidata: Q82632171
• Mol file: 72836-74-9.mol

Synonyms:72836-74-9;[(3-Hydroxynaphthalen-2-yl)oxy]acetic acid;2-[(3-HYDROXY-2-NAPHTHALENYL)OXY]ACETIC ACID;2-(3-hydroxynaphthalen-2-yl)oxyacetic acid;2-((3-Hydroxynaphthalen-2-yl)oxy)acetic acid;starbld0003705;DTXSID40700719;FT-0669891

Chemical Property of [(3-Hydroxynaphthalen-2-yl)oxy]acetic acid

Chemical Property:

• Boiling Point: 443.2±20.0 °C(Predicted)
• PKA: 1.97±0.30(Predicted)
• PSA: 66.76000
• Density: 1.388±0.06 g/cm3(Predicted)
• LogP: 2.00880
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 218.05790880
• Heavy Atom Count: 16
• Complexity: 253

Purity/Quality:

99% ^*data from raw suppliers

2-[(3-Hydroxy-2-naphthalenyl)oxy]aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C=C(C(=CC2=C1)O)OCC(=O)O
• Uses: 2-[(3-Hydroxy-2-naphthalenyl)oxy]acetic Acid is used in the preparation of antitumor agents against sarcoma. Reagent used in the preparation of antitumor agents against sarcoma.

Technology Process of [(3-Hydroxynaphthalen-2-yl)oxy]acetic acid

There total 2 articles about [(3-Hydroxynaphthalen-2-yl)oxy]acetic 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:

chloroacetic acid (79-11-8) + 2,3-naphthalenediol (92-44-4) → (3-hydroxy-[2]naphthyloxy)-acetic acid (72836-74-9)

Guidance literature:

With potassium hydroxide;

Reference yield:

ethyl bromoacetate (105-36-2) + 2,3-naphthalenediol (92-44-4) → (3-hydroxy-[2]naphthyloxy)-acetic acid (72836-74-9)

Guidance literature:

With ethanol; sodium ethanolate; anschliessendes Erwaermen mit wss. NaOH;

DOI:10.1039/jr9580004723

upstream raw materials:

ethyl bromoacetate

2,3-naphthalenediol

chloroacetic acid