2,3-Dihydro-1-benzofuran-5-propanoic acid

Base Information

• Chemical Name: 2,3-Dihydro-1-benzofuran-5-propanoic acid
• CAS No.: 215057-28-6
• Molecular Formula: C11H12O3
• Molecular Weight: 192.214
• Hs Code.: 2932999099
• European Community (EC) Number: 640-714-5
• DSSTox Substance ID: DTXSID00384655
• Wikidata: Q72464599
• Mol file: 215057-28-6.mol

Synonyms:215057-28-6;2,3-dihydro-1-benzofuran-5-propanoic acid;3-(2,3-Dihydrobenzofuran-5-yl)propanoic acid;3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid;2,3-dihydrobenzofuran-5-propanoic acid;3-(2,3-dihydrobenzo[b]furan-5-yl)propanoic acid;2,3-Dihydro-5-benzofuranpropanoic acid;MFCD03102298;Maybridge3_002835;5-Benzofuranpropanoic acid, 2,3-dihydro-;SCHEMBL81136;DTXSID00384655;DPQFYUVHQLRVGR-UHFFFAOYSA-N;HMS1439A19;CS-M3399;AC-342;CCG-49824;STL373039;AKOS009157604;AB92785;FS-1746;2,3-Dihydrobenzofuran-5-Propionic Acid;IDI1_014222;2,3-dihydro-1-benzofuran-5-propanoicacid;AM20030353;FT-0653385;3-(2,3-Dihydrobenzofuran-5-yl)propionic acid;A25092;EN300-104870;3-(2,3-dihydro-benzofuran-5-yl)propanoic acid;SR-01000639254-1;Z448237234;3-(2,3-dihydrobenzofuran-5-yl)propanoic acid, AldrichCPR

Chemical Property of 2,3-Dihydro-1-benzofuran-5-propanoic acid

Chemical Property:

• Vapor Pressure: 1.17E-05mmHg at 25°C
• Melting Point: 95-97 °C
• Refractive Index: 1.581
• Boiling Point: 355.2 °C at 760 mmHg
• PKA: 4.61±0.10(Predicted)
• Flash Point: 142.1 °C
• PSA: 46.53000
• Density: 1.252 g/cm³
• LogP: 1.63870
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 192.078644241
• Heavy Atom Count: 14
• Complexity: 215

Purity/Quality:

99% ^*data from raw suppliers

3-(2,3-Dihydrobenzofuran-5-yl)propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC2=C1C=C(C=C2)CCC(=O)O

Technology Process of 2,3-Dihydro-1-benzofuran-5-propanoic acid

There total 4 articles about 2,3-Dihydro-1-benzofuran-5-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: 99.0%

3-(2,3-dihydro-1-benzofuran-5-yl)-2-propenoic acid (203505-84-4) → 3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid (215057-28-6)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In acetic acid; at 20 ℃; for 1h;

DOI:10.2174/1570180811310070003

Reference yield: 95.0%

3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoic acid (198707-57-2) → 3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid (215057-28-6)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; acetic acid; at 20 ℃; for 4h;

Reference yield:

2.3-dihydrobenzofuran (496-16-2) → 3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid (215057-28-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 92 percent / TiCl₄ / CH₂Cl₂ / 1 h

2: 62 percent / pyridine; piperidine / 4 h / 100 °C

3: 90 percent / H₂; AcOH / 10percent Pd/C/H₂₀ / 1 h / 20 °C

With piperidine; pyridine; hydrogen; titanium tetrachloride; acetic acid; 10percent Pd/C/H₂₀; In dichloromethane; 1: Vilsmeier-Haack reaction;

DOI:10.1021/jm0201159

upstream raw materials:

3-(2,3-dihydro-1-benzofuran-5-yl)-2-propenoic acid

2.3-dihydrobenzofuran

2,3-dihydro-benzofuran-5-carbaldehyde

3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoic acid

Downstream raw materials:

ethyl 3-(6,7-dibromo-2,3-dihydrobenzofuran-5-yl) propionic acid

ramelteon

4,5-dibromo-1,2,6,7-tetrahydro-8H-indeno[5,4-b]furan-8-one

1,2,6,7-tetrahydro-8H-indeno[5,4-b]-furan-8-one

Refernces

• 1、 -. "Dihydrofuran and yinyin alkane - imidazole salt compound and its preparation method". . . Retrieved 2017/08/02.
• 2、 Chen, Wen,Yang, Li-Juan,Li, Yan,Wang, Xue-Quan,Wang, Shao-Jie,Wan, Wei-Chao,Zhang, Hong-Bin,Yang, Xiao-Dong. "Novel tricyclic indeno[5,6-b]furan-imidazole hybrid compounds: Design, synthesis and antitumor activity". . p. 561 - 571. Retrieved 2013/08/23.