8-(2-Naphthyl)-8-oxooctanoic acid

Base Information

• Chemical Name: 8-(2-Naphthyl)-8-oxooctanoic acid
• CAS No.: 362669-52-1
• Molecular Formula: C18H20O3
• Molecular Weight: 284.355
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID90449363
• Wikidata: Q82268797
• Mol file: 362669-52-1.mol

Synonyms:8-(2-NAPHTHYL)-8-OXOOCTANOIC ACID;362669-52-1;8-naphthalen-2-yl-8-oxooctanoic acid;MFCD01311642;7-(2-naphthoyl)heptanoic acid;SCHEMBL3379592;DTXSID90449363;QGDXRNDAAVAQIV-UHFFFAOYSA-N;AKOS016022475;8-(2-NAPHTHYL)-8-OXOOCTANOICACID;8-(NAPHTHALEN-2-YL)-8-OXOOCTANOIC ACID

Chemical Property of 8-(2-Naphthyl)-8-oxooctanoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 495.69°C at 760 mmHg
• Flash Point: 267.681°C
• PSA: 54.37000
• Density: 1.143g/cm³
• LogP: 4.44770
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 284.14124450
• Heavy Atom Count: 21
• Complexity: 350

Purity/Quality:

95% ^*data from raw suppliers

8-(2-naphthyl)-8-oxooctanoicacid 97% ^*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)C(=O)CCCCCCC(=O)O

Technology Process of 8-(2-Naphthyl)-8-oxooctanoic acid

There total 5 articles about 8-(2-Naphthyl)-8-oxooctanoic 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: 78.0%

→ 7-(2-naphthoyl)heptanoic acid (362669-52-1)

Guidance literature:

Reference yield:

ethyl 7-(2-naphthoyl)heptanoate (362669-46-3) → 7-(2-naphthoyl)heptanoic acid (362669-52-1)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; methanol;

DOI:10.1016/j.bmcl.2003.08.083

Reference yield:

ethyl 7-iodoheptanoate (51100-70-0) → 7-(2-naphthoyl)heptanoic acid (362669-52-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: Zn; BrCH₂CH₂Br; Me₃SiCl

1.2: LiCl; CuCN / tetrahydrofuran

1.3: tetrahydrofuran

2.1: aq. NaOH / tetrahydrofuran; methanol

With sodium hydroxide; chloro-trimethyl-silane; ethylene dibromide; zinc; In tetrahydrofuran; methanol;

DOI:10.1016/j.bmcl.2003.08.083

upstream raw materials:

ethyl 7-(2-naphthoyl)heptanoate

ethyl 7-iodoheptanoate

2-naphthaloyl chloride

ethyl 7-bromoheptanoate

Downstream raw materials:

N-(2-Aminophenyl)-7-(2-naphthoyl)heptanamide

Refernces

• 1、 Woo, Soon Hyung,Frechette, Sylvie,Khalil, Elie Abou,Bouchain, Giliane,Vaisburg, Arkadii,Bernstein, Naomy,Moradei, Oscar,Leit, Silvana,Allan, Martin,Fournel, Marielle,Trachy-Bourget, Marie-Claude,Li, Zuomei,Besterman, Jeffrey M.,Delorme, Daniel. "Structurally simple trichostatin A-like straight chain hydroxamates as potent histone deacetylase inhibitors". . p. 2877 - 2885. Retrieved 2007/10/03.