2-Phenoxyhexanoic acid

Base Information

• Chemical Name: 2-Phenoxyhexanoic acid
• CAS No.: 19102-09-1
• Molecular Formula: C12H16O3
• Molecular Weight: 208.257
• DSSTox Substance ID: DTXSID501314483
• Nikkaji Number: J1.230.785C
• Mol file: 19102-09-1.mol

Synonyms:2-PHENOXYHEXANOIC ACID;butylphenoxyacetic acid;19102-09-1;SCHEMBL289442;DTXSID501314483

Chemical Property of 2-Phenoxyhexanoic acid

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 208.109944368
• Heavy Atom Count: 15
• Complexity: 185

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCC(C(=O)O)OC1=CC=CC=C1

Technology Process of 2-Phenoxyhexanoic acid

There total 7 articles about 2-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:

methyl 2-bromohexanoate (5445-19-2) → 2-phenoxyhexanoic acid (19102-09-1)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃ / dimethylformamide / 4 h / Heating

2: aq. KOH

With potassium hydroxide; potassium carbonate; In N,N-dimethyl-formamide;

Reference yield:

phenol (108-95-2,27073-41-2) → 2-phenoxyhexanoic acid (19102-09-1)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃ / dimethylformamide / 4 h / Heating

2: aq. KOH

With potassium hydroxide; potassium carbonate; In N,N-dimethyl-formamide;

Reference yield:

ethyl 2-phenoxyhexanoate (256399-55-0) → 2-phenoxyhexanoic acid (19102-09-1)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

ethyl 2-phenoxyhexanoate

2-Phenoxy-hexanoic acid methyl ester

sodium phenoxide

phenol

Downstream raw materials:

D-2-phenoxy-hexanoic acid

2-phenoxyhexanoyl chloride

6β-((Ξ)-2-phenoxy-hexanoylamino)-penicillanic acid

(pentyloxy)benzene