3-(2-methyl-1,3-dioxolan-2-yl)propanoic Acid

Base Information

• Chemical Name: 3-(2-methyl-1,3-dioxolan-2-yl)propanoic Acid
• CAS No.: 4388-57-2
• Molecular Formula: C7H12 O4
• Molecular Weight: 160.17
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID20448723
• Mol file: 4388-57-2.mol

Synonyms:4388-57-2;3-(2-methyl-1,3-dioxolan-2-yl)propanoic Acid;2-Methyl-1,3-dioxolane-2-propanoic Acid;1,3-Dioxolane-2-propanoicacid, 2-methyl-;3-(2-Methyl-[1,3]dioxolan-2-yl)propionic acid;starbld0012270;SCHEMBL203099;DTXSID20448723;LLYSZAUNEYRNQM-UHFFFAOYSA-N;MFCD11554169;AKOS006316237;FT-0671705;3-(2-methyl-[1,3]dioxolan-2-yl)-propionic acid

Chemical Property of 3-(2-methyl-1,3-dioxolan-2-yl)propanoic Acid

Chemical Property:

• Boiling Point: 243.3±25.0 °C(Predicted)
• PKA: 4.71±0.10(Predicted)
• PSA: 55.76000
• Density: 1.161±0.06 g/cm3(Predicted)
• LogP: 0.61420
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 160.07355886
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

99%min ^*data from raw suppliers

2-Methyl-1,3-dioxolane-2-propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(OCCO1)CCC(=O)O
• Uses: 2-Methyl-1,3-dioxolane-2-propanoic Acid (cas# 4388-57-2) is a compound useful in organic synthesis.

Technology Process of 3-(2-methyl-1,3-dioxolan-2-yl)propanoic Acid

There total 14 articles about 3-(2-methyl-1,3-dioxolan-2-yl)propanoic 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: 93.0%

Potassium; 3-(2-methyl-[1,3]dioxolan-2-yl)-propionate (143674-66-2) → tert-butyldimethylsilyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate (4388-57-2)

Guidance literature:

With hydrogenchloride; In chloroform;

DOI:10.1016/S0040-4020(01)92014-9

Reference yield: 93.0%

levulinic acid (123-76-2) → tert-butyldimethylsilyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate (4388-57-2)

Guidance literature:

DOI:10.1016/S0040-4039(00)85816-5

Reference yield: 68.4%

ethylene glycol (107-21-1) + levulinic acid (123-76-2) → tert-butyldimethylsilyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate (4388-57-2)

Guidance literature:

With toluene-4-sulfonic acid; In benzene; for 5h; Ambient temperature;

DOI:10.1002/jlcr.2580360806

upstream raw materials:

Ethyl levulinate ethylene ketal

levulinic acid

Potassium; 3-(2-methyl-[1,3]dioxolan-2-yl)-propionate

ethylene glycol

Downstream raw materials:

undec-8c-ene-2,5-dione

2,5-hexanedione

1-((2S,3S)-1-(bis(4-methoxy-3,5-dimethyl-phenyl)methyl)-3-cyclohexylaziridin-2-yl)-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-one

1-((2S,3S)-1-(bis(4-methoxy-3,5-dimethyl-phenyl)methyl)-3-phenylaziridin-2-yl)-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-one

Refernces

• 1、 Wanner, Martin J.,Boots, Rowan N.A.,Eradus, Bram,De Gelder, Rene,Van Maarseveen, Jan H.,Hiemstra, Henk. "Organocatalytic enantioselective total synthesis of (-)-arboricine". supporting information; scheme or table. p. 2579 - 2581. Retrieved 2009/10/23.
• 2、 -. "OXIME AND HYDROXYLAMINE SUBSTITUTED IMIDAZO[4,5-C] RING COMPOUNDS AND METHODS". Page/Page column 84-85. . Retrieved 2008/06/13.