7-Hydroxy-7-phenylheptanoic acid

Base Information

• Chemical Name: 7-Hydroxy-7-phenylheptanoic acid
• CAS No.: 122114-99-2
• Molecular Formula: C₁₃H₁₈O₃
• Molecular Weight: 222.284
• Hs Code.: 2918199090
• DSSTox Substance ID: DTXSID10575774
• Mol file: 122114-99-2.mol

Synonyms:7-Hydroxy-7-phenylheptanoic acid;122114-99-2;7-hydroxy-7-phenylheptanoic acid(Seratrodast inteMediate);ALPHA-HYDROXY BENZENEHEPTANOIC ACID;SCHEMBL6907995;DTXSID10575774;AKOS015965268;AC-20365

Chemical Property of 7-Hydroxy-7-phenylheptanoic acid

Chemical Property:

• PSA: 57.53000
• LogP: 2.75510
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 222.125594432
• Heavy Atom Count: 16
• Complexity: 197

Purity/Quality:

98%,99%, ^*data from raw suppliers

7-HYDROXY-7-PHENYLHEPTANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 7-Hydroxy-7-phenylheptanoic acid

There total 9 articles about 7-Hydroxy-7-phenylheptanoic 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: 95.0%

7-hydroxy-7-phenyl-heptanoic acid ethyl ester (112665-42-6) → 7-hydroxy-7-phenylheptanoic acid (103187-18-4,122114-99-2)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; at 70 ℃; for 3h;

DOI:10.1021/jm00129a030

Reference yield: 95.0%

→ 7-hydroxy-7-phenylheptanoic acid (103187-18-4,122114-99-2)

Guidance literature:

Reference yield: 65.0%

6-benzoylhexanoic acid (7472-43-7) → 7-hydroxy-7-phenylheptanoic acid (103187-18-4,122114-99-2)

Guidance literature:

With hydrido(phosphonite)cobalt(I); 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane; In 2-methyltetrahydrofuran; for 16h; chemoselective reaction; Sealed tube; Irradiation; Schlenk technique;

DOI:10.1002/anie.202114482

upstream raw materials:

7-hydroxy-7-phenyl-heptanoic acid ethyl ester

ethyl 6-(chloroformyl)hexanoate

7-ethoxy-7-oxoheptanoic acid

ethyl 7-oxo-7-phenylheptanoate

Refernces

• 1、 Kuninobu, Yoichiro,Kawata, Atsushi,Noborio, Taihei,Yamamoto, Syun-Ichi,Matsuki, Takashi,Takata, Kazumi,Takai, Kazuhiko. "Indium-catalyzed synthesis of keto esters from cyclic 1,3-diketones and alcohols and application to the synthesis of seratrodast". scheme or table. p. 941 - 945. Retrieved 2010/07/07.
• 2、 Shiraishi,Kato,Terao,Ashida,Terashita,Kito. "Quinones. 4. Novel eicosanoid antagonists: Synthesis and pharmacological evaluation". . p. 2214 - 2221. Retrieved 2007/10/02.