1,4-dioxane-2-carboxylic Acid

Base Information

• Chemical Name: 1,4-dioxane-2-carboxylic Acid
• CAS No.: 89364-41-0
• Molecular Formula: C5H8 O4
• Molecular Weight: 132.116
• Hs Code.: 2934999090
• European Community (EC) Number: 688-453-6
• DSSTox Substance ID: DTXSID50411768,DTXSID00901487
• Mol file: 89364-41-0.mol

Synonyms:1,4-dioxane-2-carboxylic Acid;89364-41-0;[1,4]dioxane-2-carboxylic acid;MFCD06260725;1,4-Dioxane-2-carboxylicacid;MFCD26954725;MFCD26954726;dioxane carboxylic;NoName_610;SCHEMBL1357465;DTXSID00901487;DTXSID50411768;VGBAYGFELCUXBS-UHFFFAOYSA-N;AKOS003589016;AB89943;SB34504;SB34765;NCGC00336196-01;BS-13063;SY036334;SY047279;SY168539;BB 0262248;CS-0067955;FT-0650870;EN300-36158;F16389;AB01329833-02;A853225;F8881-7210;Z362763682

Chemical Property of 1,4-dioxane-2-carboxylic Acid

Chemical Property:

• Vapor Pressure: 0.000588mmHg at 25°C
• Melting Point: 83.5-85 °C(Solv: carbon tetrachloride (56-23-5))
• Refractive Index: 1.463
• Boiling Point: 288.5°C at 760 mmHg
• PKA: 3.10±0.20(Predicted)
• Flash Point: 129°C
• PSA: 55.76000
• Density: 1.31g/cm³
• LogP: -0.51360
• Storage Temp.: 2-8°C
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 132.04225873
• Heavy Atom Count: 9
• Complexity: 112

Purity/Quality:

97% ^*data from raw suppliers

1,4-Dioxane-2-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC(CO1)C(=O)O
• Uses: 1,4-Dioxane-2-carboxylic acid is used the preparation of imidazo[1,2-a]pyrimidine derivatives. as parasiticides.

Technology Process of 1,4-dioxane-2-carboxylic Acid

There total 1 articles about 1,4-dioxane-2-carboxylic 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:

→ 1,4-dioxane-2-carboxylic acid (89364-41-0,1821739-82-5,1932281-42-9)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01611a096

Reference yield: 67.0%

1,4-dioxane-2-carboxylic acid (89364-41-0,1821739-82-5,1932281-42-9) + (6R,7R)-tert-butyl 6-(aminomethyl)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepane-4-carboxylate (1372187-09-1) → (6R,7R)-tert-butyl 6-((1,4-dioxane-2-carboxamido)methyl)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepane-4-carboxylate

Guidance literature:

With 1-hydroxybenzotriazol-hydrate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In tetrahydrofuran; at 20 ℃; for 3h;

DOI:10.1016/j.bmc.2016.05.038

Reference yield:

1,4-dioxane-2-carboxylic acid (89364-41-0,1821739-82-5,1932281-42-9) + 1-{4-methyl-5-[3-methyl-5-(piperidine-3-yl)phenoxy]-2,3-dihydro-1H-indole-1-yl}-2-[2-(methylsulfonyl)phenyl]ethanone hydrochloride → 1-(5-{3-[1-(1,4-dioxane-2-ylcarbonyl)piperidine-3-yl]-5-methylphenoxy}-4-methyl-2,3-dihydro-1H-indole-1-yl)-2-[2-(methylsulfonyl)phenyl]ethanone

Guidance literature:

1-{4-methyl-5-[3-methyl-5-(piperidine-3-yl)phenoxy]-2,3-dihydro-1H-indole-1-yl}-2-[2-(methylsulfonyl)phenyl]ethanone hydrochloride; With triethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 0.0833333h;

1,4-dioxane-2-carboxylic acid; With 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride; In N,N-dimethyl-formamide; at 20 ℃; for 18h;