2-Oxo-6-phenoxyhexanoic acid

Base Information

• Chemical Name: 2-Oxo-6-phenoxyhexanoic acid
• CAS No.: 30952-42-2
• Molecular Formula: C12H14O4
• Molecular Weight: 222.23700
• DSSTox Substance ID: DTXSID50604471
• Wikidata: Q82502432
• Mol file: 30952-42-2.mol

Synonyms:2-OXO-6-PHENOXYHEXANOIC ACID;30952-42-2;SCHEMBL10934352;DTXSID50604471

Chemical Property of 2-Oxo-6-phenoxyhexanoic acid

Chemical Property:

• PSA: 63.60000
• LogP: 1.88940
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 222.08920892
• Heavy Atom Count: 16
• Complexity: 231

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Oxo-6-phenoxyhexanoic acid

There total 3 articles about 2-Oxo-6-phenoxyhexanoic 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:

carbon monoxide (201230-82-2) + 4-bromophenyl butyl ether (1200-03-9) → 2-oxo-6-phenoxycapronsaeure (30952-42-2)

Guidance literature:

With lithium hydroxide; dicobalt octacarbonyl; In tert-butyl alcohol; at 100 ℃; under 37503 Torr;

DOI:10.1002/prac.19923340409

Reference yield:

(C6H5)O(CH2)4MgCl → 2-oxo-6-phenoxycapronsaeure (30952-42-2)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether

2: (saponification)

In diethyl ether;

Reference yield:

2-Oxo-6-phenoxy-hexanoic acid ethyl ester (30952-43-3) → 2-oxo-6-phenoxycapronsaeure (30952-42-2)

Guidance literature:

(saponification);

upstream raw materials:

2-Oxo-6-phenoxy-hexanoic acid ethyl ester

carbon monoxide

4-bromophenyl butyl ether