Methoxyacetic acid

Base Information

• Chemical Name: Methoxyacetic acid
• CAS No.: 625-45-6
• Molecular Formula: C3H6O3
• Molecular Weight: 90.0788
• Hs Code.: 29189090
• European Community (EC) Number: 210-894-6
• NSC Number: 7300
• UN Number: 3265
• UNII: F11T1H7Q7W
• DSSTox Substance ID: DTXSID1031591
• Nikkaji Number: J502I
• Wikidata: Q20054532
• Metabolomics Workbench ID: 49634
• ChEMBL ID: CHEMBL1697714
• Mol file: 625-45-6.mol

Synonyms:2-methoxyacetic acid;methoxyacetate;methoxyacetic acid;methoxyacetic acid, calcium salt;methoxyacetic acid, sodium salt

Chemical Property of Methoxyacetic acid

Chemical Property:

• Appearance/Colour: Clear colourless to very slightly yellow liquid
• Vapor Pressure: 0.131mmHg at 25°C
• Melting Point: 7-9 °C(lit.)
• Refractive Index: n20/D 1.417(lit.)
• Boiling Point: 201 °C at 760 mmHg
• PKA: pK1:3.57 (25°C)
• Flash Point: 94 °C
• PSA: 46.53000
• Density: 1.139 g/cm³
• LogP: -0.28260
• Storage Temp.: Store below +30°C.
• Sensitive.: Hygroscopic
• Water Solubility.: freely soluble
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 90.031694049
• Heavy Atom Count: 6
• Complexity: 50
• Transport DOT Label: Corrosive

Purity/Quality:

99% ^*data from raw suppliers

Methoxyacetic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 60-61-22-34
• Safety Statements: 53-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Organic Acids
• Canonical SMILES: COCC(=O)O
• Uses: Synthesis. Methoxyacetic acid is used in zebrafish embryotoxicity test to evaluate chemical toxicity after exposure of the complete vertebrate embryo during embryogenesis. It is also used in industry as gelling, viscosity and stabilizer reagent.

Technology Process of Methoxyacetic acid

There total 51 articles about Methoxyacetic 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: 73.0%

2-methoxy-ethanol (109-86-4,95507-80-5) → 2-methoxyacetic acid (625-45-6)

Guidance literature:

2-methoxy-ethanol; With (6-di-tert-butylphosphinomethyl-2,2’-bipyridyl)Ru(CO)HCl; water; sodium hydroxide; for 18h; Inert atmosphere; Reflux;

Acidic conditions;

DOI:10.1038/nchem.1536

Reference yield: 65.0%

sodium methylate (124-41-4) + chloroacetic acid (79-11-8) → 2-methoxyacetic acid (625-45-6)

Guidance literature:

In methanol;

DOI:10.2174/1386207311316060009

Reference yield:

1,4-dioxane (123-91-1,28347-88-8,28347-91-3,39449-24-6,54841-74-6) → formaldehyd (50-00-0,30525-89-4,61233-19-0) + formic acid (64-18-6) + ethylene glycol diformate (629-15-2) + 2-methoxyacetic acid (625-45-6)

Guidance literature:

With water; oxygen; at 25 ℃; for 2h; pH=7.5; Further Variations:; ultrasonic frequencies; sparge gases: Ar/O2 mixtures, pure Ar; Kinetics; Product distribution; ultrasonic irradiation;

DOI:10.1021/es000928r

upstream raw materials:

methoxyacetaldehyde

glycolonitrile

methanol

chloroacetic acid

Downstream raw materials:

methoxy-acetic acid p-phenetidide

isopropyl methoxyacetate

3r-methoxy-4c-thiophen-2-yl-1-p-tolyl-azetidin-2-one

N-(3,4-dimethoxyphenethyl)methoxyacetamide

Refernces

• 1、 Santilli, Carola,Makarov, Ilya S.,Fristrup, Peter,Madsen, Robert. "Dehydrogenative Synthesis of Carboxylic Acids from Primary Alcohols and Hydroxide Catalyzed by a Ruthenium N-Heterocyclic Carbene Complex". . p. 9931 - 9938. Retrieved 2016/11/02.
• 2、 Su, Na-Na,Xiong, Li-Xia,Yu, Shu-Jing,Zhang, Xiao,Cui, Can,Li, Zheng-Ming,Zhao, Wei-Guang. "Larvicidal activity and click synthesis of 2-alkoxyl-2-(1,2,3-triazole-1- yl)acetamide library". . p. 484 - 493. Retrieved 2013/07/28.