Butyl 2-(4-hydroxyphenoxy)propanoate

Base Information

• Chemical Name: Butyl 2-(4-hydroxyphenoxy)propanoate
• CAS No.: 81947-94-6
• Molecular Formula: C13H18O4
• Molecular Weight: 238.284
• European Community (EC) Number: 858-356-5
• Mol file: 81947-94-6.mol

Synonyms:butyl 2-(4-hydroxyphenoxy)propanoate;81947-94-6;Propanoic acid, 2-(4-hydroxyphenoxy)-, butyl ester;SCHEMBL10486641;MPNXVFDGEQKYAY-UHFFFAOYSA-N;butyl2-(4-hydroxyphenoxy)propanoate;butyl 2-(4-hydroxyphenoxy)propionate;butyl 2-(4-oxidanylphenoxy)propanoate;n-butyl 2-(4-hydroxyphenoxy)-propionate;p-hydroxyphenoxypropionic acid butyl ester;(+)-butyl 2-(4-hydroxyphenoxy)propionate;FT-0657655;EN300-86012;2-(4-hydroxyphenoxy)propanoic acid butyl ester;A841981;Z1245537591

Chemical Property of Butyl 2-(4-hydroxyphenoxy)propanoate

Chemical Property:

• Boiling Point: 355.7±17.0 °C(Predicted)
• PSA: 55.76000
• Density: 1.109±0.06 g/cm3(Predicted)
• LogP: 2.50280
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 238.12050905
• Heavy Atom Count: 17
• Complexity: 222

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)O

Technology Process of Butyl 2-(4-hydroxyphenoxy)propanoate

There total 8 articles about Butyl 2-(4-hydroxyphenoxy)propanoate 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: 62.0%

2-(4-Benzyloxy-phenoxy)-propionic acid butyl ester (142717-43-9) → n-butyl 2-(4-hydroxyphenoxy)propionate (81947-94-6)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate; Ambient temperature;

Reference yield: 55.0%

n-butyl α-chloropropionate (54819-86-2) + hydroquinone sulphate potassium salt (37067-27-9) → n-butyl 2-(4-hydroxyphenoxy)propionate (81947-94-6)

Guidance literature:

With potassium carbonate; acetic acid; In N-methyl-acetamide; 5,5-dimethyl-1,3-cyclohexadiene;

Reference yield:

n-butyl α-chloropropionate (54819-86-2) + hydroquinone (123-31-9,8027-02-9) → n-butyl 2-(4-hydroxyphenoxy)propionate (81947-94-6)

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide; at 0 - 30 ℃; Inert atmosphere;

DOI:10.1016/j.molcatb.2013.07.016

upstream raw materials:

2-(4-Benzyloxy-phenoxy)-propionic acid butyl ester

n-butyl α-chloropropionate

phenol

4-Benzyloxyphenol

Downstream raw materials:

(S)-2-(4-hydroxyphenoxy)propionic acid

R-(+)-2-(4-hydroxyphenoxy)propionic acid butyl ester

fluazifop-butyl

2-[4-(5-Nitro-pyridin-2-yloxy)-phenoxy]-propionic acid butyl ester

Refernces

• 1、 Amabilino, David B.,Ramos, Elena,Serrano, José-Luis,Sierra, Teresa,Veciana, Jaume. "Long-range chiral induction in chemical systems with helical organization. Promesogenic monomers in the formation of poly(isocyanide)s and in the organization of liquid crystals". . p. 9126 - 9134. Retrieved 2007/10/03.
• 2、 Booth, Christopher J.,Gray, George W.,Toyne, Kenneth J.,Hardy, Judith. "The Synthesis and Transition Temperatures of Novel Low Molar Mass Cholesteric Materials Derived from (R)-2-(4-Hydroxyphenoxy)propanoic Acid". . p. 31 - 58. Retrieved 2007/10/02.