(4-Allyl-2-methoxyphenoxy)acetic acid

Base Information

• Chemical Name: (4-Allyl-2-methoxyphenoxy)acetic acid
• CAS No.: 6331-61-9
• Molecular Formula: C12H13O4-
• Molecular Weight: 222.241
• European Community (EC) Number: 834-436-5
• NSC Number: 37754
• DSSTox Substance ID: DTXSID80876826
• Nikkaji Number: J1.085.618C
• Wikidata: Q82858518
• ChEMBL ID: CHEMBL366898
• Mol file: 6331-61-9.mol

Synonyms:(4-allyl-2-methoxyphenoxy)acetic acid;6331-61-9;2-(2-methoxy-4-prop-2-enylphenoxy)acetic acid;(4-Allyl-2-methoxy-phenoxy)-acetic acid;2-(4-Allyl-2-methoxyphenoxy)acetic acid;CHEMBL366898;2-Methoxy-4-allylphenoxyacetic acid;2-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]acetic acid;Potassium (2-methoxy-4-prop-1-en-1-ylphenoxy)acetate;[2-methoxy-4-(prop-2-en-1-yl)phenoxy]acetic acid;NSC37754;Oprea1_017854;Oprea1_577048;SCHEMBL7359872;DTXSID80876826;BDBM50321262;MFCD00017594;NSC 37754;NSC-37754;STL511305;AKOS000621570;(2-methoxy-4-allyl-phenoxy)acetic acid;2-(4-Allyl-2-methoxyphenoxy)aceticacid;(4-ALLYL-2-METHOXYPHENOXY)ACETICACID;CS-0230511;EN300-10427;T71161;Acetic acid, [2-methoxy-4-(2-propenyl)phenoxy]-;Z57008937

Chemical Property of (4-Allyl-2-methoxyphenoxy)acetic acid

Chemical Property:

• Vapor Pressure: 1.61E-05mmHg at 25°C
• Melting Point: 99.0 to 103.0 °C
• Boiling Point: 350.7°C at 760 mmHg
• PKA: 3.24±0.10(Predicted)
• Flash Point: 132.3°C
• Density: 1.151g/cm³
• Solubility.: soluble in Methanol
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 222.08920892
• Heavy Atom Count: 16
• Complexity: 239

Purity/Quality:

99% ^*data from raw suppliers

(4-Allyl-2-methoxyphenoxy)acetic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (4-Allyl-2-methoxyphenoxy)acetic acid

There total 5 articles about (4-Allyl-2-methoxyphenoxy)acetic 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: 92.0%

4-allylguaiacol (97-53-0) + chloroacetic acid (79-11-8) → 2-methoxy-4-(2-propenyl)phenoxyacetic acid (6331-61-9)

Guidance literature:

With sodium hydroxide; at 95 - 100 ℃; for 0.166667h; Microwave irradiation; Green chemistry;

DOI:10.3390/molecules23092360

Reference yield: 86.0%

ethyl 2-methoxy-4-(2-propenyl)phenoxyacetate (212775-06-9) → 2-methoxy-4-(2-propenyl)phenoxyacetic acid (6331-61-9)

Guidance literature:

With water; sodium hydroxide; In ethanol; for 2h; Reflux;

Reference yield:

4-allylguaiacol (97-53-0) + bromoacetic acid (79-08-3) → 2-methoxy-4-(2-propenyl)phenoxyacetic acid (6331-61-9)

Guidance literature:

With sodium hydride; In tetrahydrofuran; for 12h; Heating;

DOI:10.1021/jm00374a006

upstream raw materials:

4-allylguaiacol

chloroacetic acid

bromoacetic acid

ethyl 2-methoxy-4-(2-propenyl)phenoxyacetate

Downstream raw materials:

(4-Allyl-2-methoxy-phenoxy)-acetic acid 2,5-dioxo-pyrrolidin-1-yl ester

2-(4-Allyl-2-methoxy-phenoxy)-N-naphthalen-1-yl-acetamide

3-[2-(4-Allyl-2-methoxy-phenoxy)-acetylamino]-benzoic acid

4-[2-(4-Allyl-2-methoxy-phenoxy)-acetylamino]-benzoic acid

Refernces

• 1、 Minhas, Richa,Bansal, Gulshan,Bansal, Yogita. "Novel coupled molecules from active structural motifs of synthetic and natural origin as immunosuppressants". . p. 544 - 554. Retrieved 2020/06/21.
• 2、 -. "With herbicidal activity of 4 - benzoyl pyrazoles". . . Retrieved 2017/08/14.