Propanoic acid, 2-(4-ethylphenoxy)-, butyl ester, (2R)-

Base Information

• Chemical Name: Propanoic acid, 2-(4-ethylphenoxy)-, butyl ester, (2R)-
• CAS No.: 197158-47-7
• Molecular Formula: C₁₅H₂₂O₃
• Molecular Weight: 250.338
• DSSTox Substance ID: DTXSID80472928
• Nikkaji Number: J1.563.302F
• Wikidata: Q82302118
• Mol file: 197158-47-7.mol

Synonyms:Propanoic acid, 2-(4-ethylphenoxy)-, butyl ester, (2R)-;197158-47-7;DTXSID80472928

Chemical Property of Propanoic acid, 2-(4-ethylphenoxy)-, butyl ester, (2R)-

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 250.15689456
• Heavy Atom Count: 18
• Complexity: 232

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)C(C)OC1=CC=C(C=C1)CC
• Isomeric SMILES: CCCCOC(=O)[C@@H](C)OC1=CC=C(C=C1)CC

Technology Process of Propanoic acid, 2-(4-ethylphenoxy)-, butyl ester, (2R)-

There total 9 articles about Propanoic acid, 2-(4-ethylphenoxy)-, butyl ester, (2R)- 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:

(+/-)-2-(4-ethylphenoxy)propanoic acid (99761-31-6) + butan-1-ol (71-36-3) → (R)-Butyl 2-(4-ethylphenoxy)propionate (197158-47-7) + (S)-Butyl 2-(4-ethylphenoxy)propionate (197158-51-3)

Guidance literature:

With lipase MY from Candida rugosa; water; In di-isopropyl ether; at 37 ℃; for 6h; Product distribution; also in the presence of LiCl, other lipase and reaction time;

DOI:10.1039/a902255d

Reference yield:

(+/-)-2-(4-ethylphenoxy)propanoic acid (99761-31-6) + butan-1-ol (71-36-3) → (R)-Butyl 2-(4-ethylphenoxy)propionate (197158-47-7)

Guidance literature:

With lipase MY from Candida rugosa; lithium chloride; In di-isopropyl ether; water; at 37 ℃; for 16.5h;

DOI:10.1039/a902255d

Reference yield:

(+/-)-2-(4-ethylphenoxy)propanoic acid (99761-31-6) + butan-1-ol (71-36-3) → (R)-2-(4-Ethylphenoxy)propionic acid (153545-91-6) + (R)-Butyl 2-(4-ethylphenoxy)propionate (197158-47-7) + (S)-Butyl 2-(4-ethylphenoxy)propionate (197158-51-3) + (S)-2-(4-Ethylphenoxy)propionic acid (153545-57-4)

Guidance literature:

With Candida rugosa lipase; In dibutyl ether; water; at 37 ℃; Title compound not separated from byproducts;

DOI:10.1246/bcsj.76.399

upstream raw materials:

(+/-)-2-(4-ethylphenoxy)propanoic acid

butan-1-ol

(R/S)-Ethyl 2-(4-ethylphenoxy)propionate

(R)-2-(4-Ethylphenoxy)propionic acid

Downstream raw materials:

(R)-2-(4-Ethylphenoxy)propionic acid