3-(2,3-Dihydro-1,4-benzodioxin-6-yl)propanoic acid

Base Information

• Chemical Name: 3-(2,3-Dihydro-1,4-benzodioxin-6-yl)propanoic acid
• CAS No.: 14939-92-5
• Molecular Formula: C₁₁H₁₂O₄
• Molecular Weight: 208.214
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID00424484
• Nikkaji Number: J1.824.708I
• Wikidata: Q82237078
• Mol file: 14939-92-5.mol

Synonyms:14939-92-5;3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid;3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-propionic acid;3-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)propanoic acid;MFCD06823843;1,4-Benzodioxin-6-propanoic acid, 2,3-dihydro-;SCHEMBL3431079;DTXSID00424484;HMS1703G05;STK664184;AKOS000302649;LS-08039;CS-0215386;FT-0677859;EN300-24291;2,3-Dihydro-1,4-benzodioxin-6-propionic acid;E85599;A910773;3-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)propanoicacid;Z178955386;3-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)PROPANOICACID

Chemical Property of 3-(2,3-Dihydro-1,4-benzodioxin-6-yl)propanoic acid

Chemical Property:

• Vapor Pressure: 5.34E-06mmHg at 25°C
• Melting Point: 67.5-69.5 °C(Solv: benzene (71-43-2); ligroine (8032-32-4))
• Refractive Index: 1.563
• Boiling Point: 366 °C at 760 mmHg
• PKA: 4.56±0.10(Predicted)
• Flash Point: 145.3 °C
• PSA: 55.76000
• Density: 1.282 g/cm³
• LogP: 1.47500
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 208.07355886
• Heavy Atom Count: 15
• Complexity: 229

Purity/Quality:

97% ^*data from raw suppliers

3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC2=C(O1)C=CC(=C2)CCC(=O)O

Technology Process of 3-(2,3-Dihydro-1,4-benzodioxin-6-yl)propanoic acid

There total 3 articles about 3-(2,3-Dihydro-1,4-benzodioxin-6-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: 67.0%

6-iodo-1,4-benzodioxane (57744-67-9) + propionic acid (802294-64-0,79-09-4) → 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)propanoic acid (14939-92-5)

Guidance literature:

With disodium phosphate heptahydrate; N-acetyl-β-alanine; palladium diacetate; silver(l) oxide; at 20 - 80 ℃; Schlenk technique; Inert atmosphere;

DOI:10.1002/chem.201705449

Reference yield:

dihydrocaffeic acid (1078-61-1) + ethylene dibromide (106-93-4) → 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)propanoic acid (14939-92-5)

Guidance literature:

With potassium hydroxide; In chloroform; water;

Reference yield:

→ 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)propanoic acid (14939-92-5)

Guidance literature:

With methanol; palladium; at 40 ℃; Hydrogenation;

DOI:10.1007/BF01044198

upstream raw materials:

dihydrocaffeic acid

ethylene dibromide

6-iodo-1,4-benzodioxane

propionic acid

Downstream raw materials:

3-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-propionic acid amide

2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethan-1-amine

6-benzyl-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline

phenyl-acetic acid-[2-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-ethylamide]