3-(Furan-2-yl)propanal

Base Information

• Chemical Name: 3-(Furan-2-yl)propanal
• CAS No.: 4543-51-5
• Molecular Formula: C7H8O2
• Molecular Weight: 124.139
• European Community (EC) Number: 961-051-0
• DSSTox Substance ID: DTXSID20472023
• Nikkaji Number: J2.455.882G
• Wikidata: Q82300768
• Mol file: 4543-51-5.mol

Synonyms:3-(Furan-2-yl)propanal;3-(2-furyl)propanal;4543-51-5;3-(2-furyl)-propionaldehyde;SCHEMBL983428;3-(furan-2-yl)-propionaldehyde;DTXSID20472023;CARVUDNODWHOPP-UHFFFAOYSA-N;AKOS012321795;EN300-1829513;Z3230564015

Chemical Property of 3-(Furan-2-yl)propanal

Chemical Property:

• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 124.052429494
• Heavy Atom Count: 9
• Complexity: 90.9

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=COC(=C1)CCC=O

Technology Process of 3-(Furan-2-yl)propanal

There total 2 articles about 3-(Furan-2-yl)propanal 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:

3-furan-2-yl-propenal (623-30-3) → 3-furan-2-yl-propan-1-ol (26908-23-6) + 3-(2-furyl)propionaldehyde (4543-51-5)

Guidance literature:

With hydrogen; ; In isopropyl alcohol; at 25 ℃; under 750.06 Torr; Product distribution; effect of temperature, solvent, various additives; other catalysts;

Reference yield:

ethanol (64-17-5) + (E)-3-(2-furanyl)-2-propenal (39511-08-5) → 3-furan-2-yl-propan-1-ol (26908-23-6) + 3-(2-furyl)propionaldehyde (4543-51-5)

Guidance literature:

at 23 ℃; under 73550.8 - 147102 Torr; Hydrogenation;

DOI:10.1021/ja01317a046

Reference yield: 86.0%

3-(2-furyl)propionaldehyde (4543-51-5) + 2,4-dinitro-1-vinylbenzene (2287-45-8) → (S)-4-(2,4-dinitrophenyl)-2-(furan-2-ylmethyl)butanal

Guidance literature:

With (S)-2-(((tert-butyldimethylsilyl)oxy)diphenylmethyl)pyrrolidine; In acetonitrile; at 20 ℃; for 0.5h; enantioselective reaction;

DOI:10.1021/ja511143b

upstream raw materials:

3-furan-2-yl-propenal

ethanol

(E)-3-(2-furanyl)-2-propenal

Downstream raw materials:

3-(tetrahydrofuran-2-yl)propan-1-ol

1,6-dioxa[4,4]spirononane

3-(2-furyl)propanoic acid

(E)-2-Benzyloxycarbonylamino-5-furan-2-yl-pent-2-enoic acid methyl ester

Refernces

• 1、 Shebaldova,Safronova,Kravtsova. "Selective Hydrogenation of α,β-Unsaturated Aldehydes and Ketones of the Furan Series in the Presence of Pd2+ Complexes". . p. 109 - 112. Retrieved 2007/10/03.