2-(4-Fluoronaphthalen-1-yl)propanoic acid

Base Information

• Chemical Name: 2-(4-Fluoronaphthalen-1-yl)propanoic acid
• CAS No.: 3833-03-2
• Molecular Formula: C₁₂H₉FO₂
• Molecular Weight: 204.201
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID00695915
• Mol file: 3833-03-2.mol

Synonyms:2-(4-Fluoronaphthalen-1-yl)propanoic acid;1415559-59-9;2-(4-FLUORO-NAPHTHALEN-1-YL)-PROPIONIC ACID;DTXSID00695915;BCP29735;CS-B0305;MFCD13180626;SB33473;2-(4-Fluoronaphthalen-1-yl)propanoicacid;CS-15403;C13457;EN300-1139178;1-Naphthaleneacetic acid, 4-fluoro-alpha-methyl-

Chemical Property of 2-(4-Fluoronaphthalen-1-yl)propanoic acid

Chemical Property:

• Melting Point: 162 °C(Solv: water (7732-18-5); ethanol (64-17-5))
• Boiling Point: 377.8±17.0 °C(Predicted)
• PKA: 4.31±0.30(Predicted)
• Density: 1.315±0.06 g/cm3(Predicted)
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 218.07430775
• Heavy Atom Count: 16
• Complexity: 267

Purity/Quality:

97% ^*data from raw suppliers

2-(4-Fluoronaphthalen-1-yl)acetic acid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C1=CC=C(C2=CC=CC=C21)F)C(=O)O

Technology Process of 2-(4-Fluoronaphthalen-1-yl)propanoic acid

There total 4 articles about 2-(4-Fluoronaphthalen-1-yl)propanoic 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:

(4-fluoro-[1]naphthyl)-acetonitrile (3832-87-9) → 4-Fluor-naphtylessigsaeure (3833-03-2)

Guidance literature:

With potassium hydroxide;

DOI:10.1021/jo01096a010

Reference yield:

1-Fluoronaphthalene (321-38-0) → 4-Fluor-naphtylessigsaeure (3833-03-2)

Guidance literature:

Multi-step reaction with 3 steps

1: paraformaldehyde; acetic acid; H₃PO₄; aqueous HCl

2: NaCN; acetone

3: ethanolic KOH

With hydrogenchloride; potassium hydroxide; formaldehyd; phosphoric acid; sodium cyanide; acetic acid; acetone;

DOI:10.1021/jo01096a010

Reference yield:

1-(chloromethyl)-4-fluoronaphthalene (3094-25-5) → 4-Fluor-naphtylessigsaeure (3833-03-2)

Guidance literature:

Multi-step reaction with 2 steps

1: NaCN; acetone

2: ethanolic KOH

With potassium hydroxide; sodium cyanide; acetone;

DOI:10.1021/jo01096a010

upstream raw materials:

(4-fluoro-[1]naphthyl)-acetonitrile

1-Fluoronaphthalene

1-(chloromethyl)-4-fluoronaphthalene

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