Acetic acid, [4-(hydroxymethyl)phenoxy]-, methyl ester

Base Information

• Chemical Name: Acetic acid, [4-(hydroxymethyl)phenoxy]-, methyl ester
• CAS No.: 117048-44-9
• Molecular Formula: C10H12O4
• Molecular Weight: 196.203
• European Community (EC) Number: 826-831-6
• DSSTox Substance ID: DTXSID70351076
• Wikidata: Q82127188
• Mol file: 117048-44-9.mol

Synonyms:117048-44-9;methyl 2-[4-(hydroxymethyl)phenoxy]acetate;Acetic acid, [4-(hydroxymethyl)phenoxy]-, methyl ester;(4-Hydroxymethyl-phenoxy)-acetic Acid Methyl Ester;methyl 2-(4-hydroxymethylphenoxy)acetate;methyl [4-(hydroxymethyl)phenoxy]acetate;SCHEMBL4267917;DTXSID70351076;KHUZRBIZTBWIIR-UHFFFAOYSA-N;Methyl 4-hydroxymethylphenoxyacetate;STK661828;AKOS000249700;methyl 4-(hydroxymethyl)phenoxyacetate;CS-0216920;FT-0734156;EN300-6479806;SR-01000510637;SR-01000510637-1;Z54574919;Acetic acid, 2-[4-(hydroxymethyl)phenoxy]-, methyl ester

Chemical Property of Acetic acid, [4-(hydroxymethyl)phenoxy]-, methyl ester

Chemical Property:

• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 196.07355886
• Heavy Atom Count: 14
• Complexity: 173

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)COC1=CC=C(C=C1)CO

Technology Process of Acetic acid, [4-(hydroxymethyl)phenoxy]-, methyl ester

There total 5 articles about Acetic acid, [4-(hydroxymethyl)phenoxy]-, methyl ester 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: 79.0%

(4-hydroxyphenyl)methanol (623-05-2) + methyl chloroacetate (96-34-4) → methyl 2-(4-hydroxymethylphenoxy)acetate (117048-44-9)

Guidance literature:

With potassium carbonate; potassium iodide; In acetone; for 12h; Reflux; Inert atmosphere; Schlenk technique;

DOI:10.1021/ol403426u

Reference yield: 66.0%

(4-hydroxyphenyl)methanol (623-05-2) + bromoacetic acid methyl ester (96-32-2) → methyl 2-(4-hydroxymethylphenoxy)acetate (117048-44-9)

Guidance literature:

With potassium carbonate; In acetone; at 50 ℃; for 16h;

Reference yield: 62.0%

methyl (4-formylphenoxy)acetate (73620-18-5) → methyl 2-(4-hydroxymethylphenoxy)acetate (117048-44-9)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 0 ℃; for 2h;

upstream raw materials:

(4-hydroxyphenyl)methanol

bromoacetic acid methyl ester

methyl chloroacetate

[4-(hydroxymethyl)phenoxy]acetic acid

Downstream raw materials:

(4-Acetoxymethyl-phenoxy)-acetic Acid Methyl Ester

C₁₅H₂₄N₂O₅

C₂₆H₃₁N₃O₁₀

C₁₉H₂₈N₂O₆