5-Phenoxypentanoic acid

Base Information

• Chemical Name: 5-Phenoxypentanoic acid
• CAS No.: 7170-40-3
• Molecular Formula: C11H14O3
• Molecular Weight: 194.23
• Hs Code.: 2918990090
• European Community (EC) Number: 678-415-7
• NSC Number: 192711
• DSSTox Substance ID: DTXSID50307551
• Nikkaji Number: J2.048.118H
• Wikidata: Q82054982
• Mol file: 7170-40-3.mol

Synonyms:5-Phenoxypentanoic acid;5-phenoxy-n-valeric acid;7170-40-3;5-Phenoxyvaleric Acid;NSC192711;5-Phenoxypentanoicacid;5-phenyloxypentanoic acid;SCHEMBL1162023;DTXSID50307551;MFCD02093487;AKOS009157926;NSC 192711;NSC-192711;AS-59125;CS-0205316;P1357;T72870

Chemical Property of 5-Phenoxypentanoic acid

Chemical Property:

• Melting Point: 63oC
• Boiling Point: 165 °C / 2mmHg
• PKA: 4.66±0.10(Predicted)
• Flash Point: 138.1oC
• PSA: 46.53000
• Density: 1.115±0.06 g/cm3(Predicted)
• LogP: 2.32030
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 162

Purity/Quality:

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

5-phenoxypentanoicAcid ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Phenoxypentanoic acid

There total 17 articles about 5-Phenoxypentanoic 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: 80.0%

→ 5-phenoxyvaleric acid (7170-40-3)

Guidance literature:

Reference yield: 67.0%

carbon dioxide (124-38-9,18923-20-1) + 4-bromophenyl butyl ether (1200-03-9) → 5-phenoxyvaleric acid (7170-40-3)

Guidance literature:

With magnesium;

Reference yield: 65.0%

carbon dioxide (124-38-9,18923-20-1) + 4-phenoxy-1-butene (2653-89-6) → 5-phenoxyvaleric acid (7170-40-3)

Guidance literature:

4-phenoxy-1-butene; With bis(cyclopentadienyl)titanium dichloride; isopropylmagnesium chloride; In diethyl ether; at 30 ℃; for 8h; Schlenk technique; Inert atmosphere;

carbon dioxide; In tetrahydrofuran; at 20 ℃; for 0.5h; regioselective reaction; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.orglett.6b00665

upstream raw materials:

(hex-5-en-1-yloxy)benzene

ethyl 5-(phenoxy)pentanoate

2-(3-phenoxy-propyl)-acetoacetic acid ethyl ester

(3-phenoxy-propyl)-malonic acid

Downstream raw materials:

ethyl 5-(phenoxy)pentanoate

5-Phenoxy-pentanoic acid methyl-{2-[methyl-(5-phenoxy-pentanoyl)-amino]-ethyl}-amide

2-cyclopropyl-5-phenoxypentanoic acid

C₁₁H₁₄⁽²⁾H₆O₃

Refernces

• 1、 Shao, Peng,Wang, Sheng,Chen, Chao,Xi, Chanjuan. "Cp2TiCl2-Catalyzed Regioselective Hydrocarboxylation of Alkenes with CO2". supporting information. p. 2050 - 2053. Retrieved 2016/06/01.
• 2、 Koden, Mitsuhiro,Miyake, Shiro,Takenaka, Shunsuke,Kusabayashi, Shigekazu. "Liquid Crystalline Properties of Cholesteryl ω-Arylalkanoates". . p. 2387 - 2390. Retrieved 2007/10/02.