3,5-Dimethoxy-4-hydroxyphenylacetic acid

Base Information

• Chemical Name: 3,5-Dimethoxy-4-hydroxyphenylacetic acid
• CAS No.: 4385-56-2
• Molecular Formula: C10H12O5
• Molecular Weight: 212.202
• Hs Code.: 2918990090
• European Community (EC) Number: 224-494-4
• DSSTox Substance ID: DTXSID60195961
• Nikkaji Number: J13.629H
• Wikidata: Q83069044
• Mol file: 4385-56-2.mol

Synonyms:3,5-Dimethoxy-4-hydroxyphenylacetic acid;4385-56-2;2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid;Homosyringic acid;4-Hydroxy-3,5-dimethoxyphenylacetic acid;Benzeneacetic acid, 4-hydroxy-3,5-dimethoxy-;EINECS 224-494-4;SCHEMBL1278855;DTXSID60195961;MFCD00016834;AKOS015851338;FS-5121;FT-0635259;H1477;(4-Hydroxy-3,5-dimethoxy-phenyl)-acetic acid;(4-Hydroxy-3,5-dimethoxyphenyl)acetic acid #;EN300-185481;T72480;3,5-Dimethoxy-4-hydroxyphenylacetic acid, 97%;Z1508918402

Chemical Property of 3,5-Dimethoxy-4-hydroxyphenylacetic acid

Chemical Property:

• Vapor Pressure: 5.08E-07mmHg at 25°C
• Melting Point: 127-131 °C(lit.)
• Refractive Index: 1.557
• Boiling Point: 397.1 °C at 760 mmHg
• PKA: 4.29±0.10(Predicted)
• Flash Point: 158.7 °C
• PSA: 75.99000
• Density: 1.299 g/cm³
• LogP: 1.03650
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 212.06847348
• Heavy Atom Count: 15
• Complexity: 204

Purity/Quality:

98%,99%, ^*data from raw suppliers

3,5-Dimethoxy-4-hydroxyphenylacetic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,5-Dimethoxy-4-hydroxyphenylacetic acid

There total 21 articles about 3,5-Dimethoxy-4-hydroxyphenylacetic 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: 75.0%

methyl 2-(3,5-dimethoxy-1-methyloxycarbonyl-4-oxo-2,5-cyclohexadienyl)ace (358742-96-8) → 2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid (4385-56-2)

Guidance literature:

With sodium hydroxide; In ethanol; water; at 20 ℃; for 6h;

DOI:10.1081/SCC-100000539

Reference yield: 61.0%

3,4,5-trimethoxyphenyl acetic acid (951-82-6) → 2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid (4385-56-2)

Guidance literature:

With zirconium(IV) chloride; methoxybenzene; In dichloromethane; at 20 ℃; for 48h; Sealed tube;

Reference yield:

dewaxed lignin from Chinese quince fruits (Chaenomeles sinensis), extracted at 160 °C over 90 min by 60% ethanol-water mixture → 4-ethyl-1,3-benzenediol (2896-60-8) + p-cresol (106-44-5) + 3,4-dimethoxyphenol (2033-89-8) + 4-allylguaiacol (97-53-0) + 1,3-dimethoxy-2-hydroxy-benzene (91-10-1) + 2-Methoxy-4-methylphenol (93-51-6) + 2,3-Dimethylphenol (526-75-0) + 3-methocycatechol (934-00-9) + 1,2,3-trimethoxybenzene (634-36-6) + 2,4,6-trihydroxyacetophenone (480-66-0,67471-34-5) + 4-allyl-2,6-dimethoxyphenol (6627-88-9) + 2,5-di-tert-butylphenol (5875-45-6) + 1-(4-hydroxy-3,5-dimethoxy-phenyl)-ethanone (2478-38-8) + 2,3-dihydroxybenzaldehyde (24677-78-9) + 2-methyl-6-methoxyphenol (2896-67-5) + 3-methoxy-4-hydroxystyrene (7786-61-0,31853-85-7) + 1-(4-hydroxy-3-methoxyphenyl)2-propanone (2503-46-0) + 3-hydroxy-5-tert-butyl-catechol (20481-17-8) + 2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid (4385-56-2) + benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) + ortho-cresol (95-48-7,77504-84-8) + 2-methoxy-phenol (90-05-1) + 4-methyl-1,2-dihydroxybenzene (452-86-8) + 1-(3-methoxy-4-hydroxyphenyl)ethanone (498-02-2) + 3-methylbenzene-1,2-diol (488-17-5) + phenol (108-95-2,27073-41-2)

Guidance literature:

at 500 ℃; for 0.00555556h; Pyrolysis;

DOI:10.1016/j.ijbiomac.2020.08.249

upstream raw materials:

syringylglyoxalic acid

(4-acetoxy-3,5-dimethoxy-phenyl)-acetonitrile

4-hydroxy-3,5-dimethoxyphenylacetonitrile

methyl 2-(3,5-dimethoxy-1-methyloxycarbonyl-4-oxo-2,5-cyclohexadienyl)ace

Downstream raw materials:

4,4'-Diacetoxy-3,5-dimethoxybibenzyl

N-[3-(3,4-dimethyl-phenyl)-propyl]-2-(4-hydroxy-3,5-dimethoxy-phenyl)-acetamide

1-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-one

2-(4-benzyloxy-3,5-dimethoxyphenyl)acetic acid

Refernces

• 1、 -. "Method for selective demethylation of ortho-trimethoxybenzene compounds". Page/Page column 6. . Retrieved 2017/04/03.
• 2、 Givens, Richard S.,Stensrud, Kenneth,Conrad, Peter G.,Yousef, Abraham L.,Perera, Chamani,Senadheera, Sanjeewa N.,Heger, Dominik,Wirz, Jakob. "P-Hydroxyphenacyl photoremovable protecting groups Robust photochemistry despite substituent diversity". scheme or table. p. 364 - 384. Retrieved 2011/06/22.