3-(1,3-Dioxolan-2-yl)propanoic acid

Base Information

• Chemical Name: 3-(1,3-Dioxolan-2-yl)propanoic acid
• CAS No.: 4388-56-1
• Molecular Formula: C6H10 O4
• Molecular Weight: 146.14
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID50515710
• Nikkaji Number: J2.475.685H
• Wikidata: Q82376745
• Mol file: 4388-56-1.mol

Synonyms:3-(1,3-Dioxolan-2-yl)propanoic acid;4388-56-1;3-[1,3]dioxolan-2-yl-propionic acid;MFCD06209471;SCHEMBL2578186;AMY9437;DTXSID50515710;3-(1,3-Dioxolan-2-yl)propanoicacid;AKOS006293780;CS-W004427;DS-6712;SY111394;FT-0692049;3-[1,3]DIOXOLAN-2-YL-PROPIONICACID;3-(1 pound not3-Dioxolan-2-yl)propanoic acid;EN300-208681;J-510414

Chemical Property of 3-(1,3-Dioxolan-2-yl)propanoic acid

Chemical Property:

• Vapor Pressure: 0.00895mmHg at 25°C
• Boiling Point: 246.1°Cat760mmHg
• PKA: 4.71±0.10(Predicted)
• Flash Point: 102.6°C
• PSA: 55.76000
• Density: 1.222g/cm³
• LogP: 0.22410
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 146.05790880
• Heavy Atom Count: 10
• Complexity: 117

Purity/Quality:

97% ^*data from raw suppliers

3-(1,3-dioxolan-2-yl)propanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC(O1)CCC(=O)O

Technology Process of 3-(1,3-Dioxolan-2-yl)propanoic acid

There total 3 articles about 3-(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: 77.0%

carbon dioxide (124-38-9,18923-20-1) + 1,3-dioxolan-2-ylethylmagnesium bromide (37610-80-3) → 3-(1,3-dioxolan-2-yl)propanoic acid (4388-56-1)

Guidance literature:

DOI:10.1021/ja00385a028

Reference yield: 72.0%

2-bromo-2-(2-ethyl)dioxolane (18742-02-4) + carbon dioxide (124-38-9,18923-20-1) → 3-(1,3-dioxolan-2-yl)propanoic acid (4388-56-1)

Guidance literature:

2-bromo-2-(2-ethyl)dioxolane; With diisobutylaluminium hydride; magnesium; In tetrahydrofuran; toluene; at 23 ℃; for 4h; Inert atmosphere;

carbon dioxide; In tetrahydrofuran; toluene; at 23 ℃; for 2h; Inert atmosphere;

DOI:10.1021/jacs.1c03529

Reference yield:

→ 3-(1,3-dioxolan-2-yl)propanoic acid (4388-56-1)

Guidance literature:

aus 3-Cyan-propionaldehyd-aethylenketal;

DOI:10.1246/bcsj.38.922

upstream raw materials:

carbon dioxide

1,3-dioxolan-2-ylethylmagnesium bromide

2-bromo-2-(2-ethyl)dioxolane

Downstream raw materials:

3-(2,6-dichloro-phenyl)-5-(2-[1,3]dioxolan-2-yl-ethyl)-isoxazole-4-carboxylic acid

3-(2,6-dichloro-phenyl)-5-(2-[1,3]dioxolan-2-yl-ethyl)-isoxazole-4-carboxylic acid ethyl ester

C₁₂H₁₅NO₄

3-(1,3-dioxolan-2-yl)-N,N-bis(2-(diphenylphosphino)ethyl)propanamide