7-(2-Naphthyl)-7-oxoheptanoic acid

Base Information

• Chemical Name: 7-(2-Naphthyl)-7-oxoheptanoic acid
• CAS No.: 13672-52-1
• Molecular Formula: C₁₇H₁₈O₃
• Molecular Weight: 270.328
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID10448530
• Wikidata: Q82267568
• Mol file: 13672-52-1.mol

Synonyms:7-(2-NAPHTHYL)-7-OXOHEPTANOIC ACID;13672-52-1;7-naphthalen-2-yl-7-oxoheptanoic acid;MFCD01320092;DTXSID10448530;AKOS016022474;7-(2-NAPHTHYL)-7-OXOHEPTANOICACID;7-(NAPHTHALEN-2-YL)-7-OXOHEPTANOIC ACID

Chemical Property of 7-(2-Naphthyl)-7-oxoheptanoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 487.095°C at 760 mmHg
• Flash Point: 262.489°C
• PSA: 54.37000
• Density: 1.164g/cm³
• LogP: 4.05760
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 270.125594432
• Heavy Atom Count: 20
• Complexity: 337

Purity/Quality:

95% ^*data from raw suppliers

7-(2-Naphthyl)-7-oxoheptanoicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C=C(C=CC2=C1)C(=O)CCCCCC(=O)O

Technology Process of 7-(2-Naphthyl)-7-oxoheptanoic acid

There total 3 articles about 7-(2-Naphthyl)-7-oxoheptanoic 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:

7-naphthalen-2-yl-7-oxo-heptanoic acid ethyl ester (898752-82-4) → 6-<2-Naphthoyl>-capronsaeure (13672-52-1)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; methanol; for 2h;

DOI:10.1021/jm020154k

Reference yield:

ethyl 6-iodohexanoate (13159-24-5) → 6-<2-Naphthoyl>-capronsaeure (13672-52-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: Zn; (CH₂)Br₂; TMSCl / tetrahydrofuran / 16 h / 20 - 60 °C

1.2: CuCN; LiCl / tetrahydrofuran / 0.17 h / 0 °C

1.3: tetrahydrofuran / 3 h / 0 °C

2.1: 1 N aq. NaOH / tetrahydrofuran; methanol / 2 h

With sodium hydroxide; chloro-trimethyl-silane; zinc; 1,1-dibromomethane; In tetrahydrofuran; methanol;

DOI:10.1021/jm020154k

Reference yield:

2-naphthaloyl chloride (2243-83-6) → 6-<2-Naphthoyl>-capronsaeure (13672-52-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: Zn; (CH₂)Br₂; TMSCl / tetrahydrofuran / 16 h / 20 - 60 °C

1.2: CuCN; LiCl / tetrahydrofuran / 0.17 h / 0 °C

1.3: tetrahydrofuran / 3 h / 0 °C

2.1: 1 N aq. NaOH / tetrahydrofuran; methanol / 2 h

With sodium hydroxide; chloro-trimethyl-silane; zinc; 1,1-dibromomethane; In tetrahydrofuran; methanol;

DOI:10.1021/jm020154k

upstream raw materials:

7-naphthalen-2-yl-7-oxo-heptanoic acid ethyl ester

ethyl 6-iodohexanoate

2-naphthaloyl chloride

Refernces