Methyl 4-butoxyphenylacetate

Base Information

• Chemical Name: Methyl 4-butoxyphenylacetate
• CAS No.: 29056-06-2
• Molecular Formula: C13H18O3
• Molecular Weight: 222.284
• Hs Code.: 2918990090
• European Community (EC) Number: 249-392-7
• UNII: 3QX5UBX3NN
• DSSTox Substance ID: DTXSID20183304
• Nikkaji Number: J31.472B
• Wikidata: Q72488953
• Mol file: 29056-06-2.mol

Synonyms:29056-06-2;methyl 2-(4-butoxyphenyl)acetate;Methyl 4-butoxyphenylacetate;4-Butoxyphenylacetic Acid Methyl Ester;Benzeneacetic acid, 4-butoxy-, methyl ester;EINECS 249-392-7;Butoxyphenylaceticacidmethylester;97%;methyl 4-butoxy phenylacetate;Bufexamac impurity B;3QX5UBX3NN;Methyl 4-butoxybenzeneacetate;SCHEMBL3333378;DTXSID20183304;Methyl (4-butoxyphenyl)acetate #;MFCD00075839;Bufexamac impurity B [EP IMPURITY];AKOS015851501;(p-Butoxyphenyl)acetic acid methyl ester;(4-butoxy-phenyl)-acetic acid methyl ester;CS-0450547;FT-0638827;A819742;W-107010

Chemical Property of Methyl 4-butoxyphenylacetate

Chemical Property:

• Boiling Point: 305.9 °C at 760 mmHg
• Flash Point: 124.7 °C
• PSA: 35.53000
• Density: 1.03 g/cm³
• LogP: 2.58100
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 222.125594432
• Heavy Atom Count: 16
• Complexity: 195

Purity/Quality:

99.9% ^*data from raw suppliers

Methyl2-(4-butoxyphenyl)acetate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC1=CC=C(C=C1)CC(=O)OC

Technology Process of Methyl 4-butoxyphenylacetate

There total 3 articles about Methyl 4-butoxyphenylacetate 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: 100.0%

1-bromo-butane (109-65-9) + Methyl 4-hydroxyphenylacetate (14199-15-6) → (4-butoxy-phenyl)-acetic acid methyl ester (29056-06-2)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 80 - 100 ℃; for 3h;

Reference yield:

methanol (67-56-1) + 1-bromo-butane (109-65-9) + 4-hydroxyphenylacetate (156-38-7) → (4-butoxy-phenyl)-acetic acid methyl ester (29056-06-2)

Guidance literature:

With potassium hydroxide; for 8h; Heating;

DOI:10.1021/ja00323a048

Reference yield:

→ (4-butoxy-phenyl)-acetic acid methyl ester (29056-06-2)

Guidance literature:

aus /BRN= 513845/, MeOH, HCl(gas), 5h auf Wasserbad;

upstream raw materials:

methanol

1-bromo-butane

4-hydroxyphenylacetate

Methyl 4-hydroxyphenylacetate

Downstream raw materials:

2-(4-butoxy-phenyl)-butyric acid methyl ester

N-hydroxy-N-methyl-2-(4-butoxyphenyl)propionamide

2-(4-butoxy)phenylpropionic acid

methyl 2-(4-butoxyphenyl)propionate

Refernces

• 1、 -. "PIPERAZINE AND PIPERIDINE MGLUR5 POTENTIATORS". Page/Page column 33. . Retrieved 2008/12/07.
• 2、 Summers, James B.,Gunn, Bruce P.,Mazdiyasni, Hormoz,Goetze, Andrew M.,Young, Patrick R.,et al.. "In Vivo Characterization of Hydroxamic Acid Inhibitors of 5-Lipoxygenase". . p. 2121 - 2126. Retrieved 2007/10/02.