5-Allyl-2-hydroxy-3-methoxybenzoic acid

Base Information

• Chemical Name: 5-Allyl-2-hydroxy-3-methoxybenzoic acid
• CAS No.: 2216-99-1
• Molecular Formula: C11H12O4
• Molecular Weight: 208.214
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID40603019
• Nikkaji Number: J137.964J
• Wikidata: Q82500243
• Mol file: 2216-99-1.mol

Synonyms:5-Allyl-2-hydroxy-3-methoxybenzoic acid;2216-99-1;2-hydroxy-3-methoxy-5-prop-2-enylbenzoic acid;2-Hydroxy-3-methoxy-5-(prop-2-en-1-yl)benzoic acid;SCHEMBL10627084;DTXSID40603019;5-Allyl-2-hydroxy-3-methoxybenzoicacid;2-Hydroxy-3-methoxy-5-(2-propenyl)benzoic acid

Chemical Property of 5-Allyl-2-hydroxy-3-methoxybenzoic acid

Chemical Property:

• PSA: 66.76000
• LogP: 1.82750
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 208.07355886
• Heavy Atom Count: 15
• Complexity: 239

Purity/Quality:

5-Allyl-2-hydroxy-3-methoxybenzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1O)C(=O)O)CC=C

Technology Process of 5-Allyl-2-hydroxy-3-methoxybenzoic acid

There total 8 articles about 5-Allyl-2-hydroxy-3-methoxybenzoic 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: 98.0%

2-hydroxy-3-methoxy-5-(2-propeny)benzoic acid, methyl ester (85614-43-3) → 5-allyl-2-hydroxy-3-methoxybenzoic acid (2216-99-1)

Guidance literature:

2-hydroxy-3-methoxy-5-(2-propeny)benzoic acid, methyl ester; With sodium hydroxide; In water; for 2 - 3h; Reflux;

With hydrogenchloride; In water; Time;

Reference yield:

2-(allyloxy)-3-methoxybenzoic acid (96619-88-4) → 6-allylguaicol (579-60-2) + 5-allyl-2-hydroxy-3-methoxybenzoic acid (2216-99-1)

Guidance literature:

at 250 ℃;

Reference yield:

4-allylguaiacol (97-53-0) + potassium hydrogencarbonate (298-14-6) → 5-allyl-2-hydroxy-3-methoxybenzoic acid (2216-99-1)

Guidance literature:

With 2,3-dihydroxybenzoate decarboxylase from Aspergillus oryzae; In aq. phosphate buffer; at 175 ℃; for 24h; under 11251.1 Torr; regioselective reaction; Autoclave; Enzymatic reaction;

DOI:10.1039/c3ra47719c

upstream raw materials:

2-hydroxy-3-methoxy-5-(2-propeny)benzoic acid, methyl ester

2-(allyloxy)-3-methoxybenzoic acid

4-allylguaiacol

carbon dioxide

Downstream raw materials:

2-hydroxy-3-methoxy-5-propylbenzoic acid

(E)-2-hydroxy-3-methoxy-5-(prop-1-enyl)benzoic acid

4-allylguaiacol

carbon dioxide

Refernces

• 1、 -. "DYE COMPOUND AND COLORED CURABLE RESIN COMPOSITION". Paragraph 0359-0360. . Retrieved 2016/11/17.