4-(benzylamino)furan-2(5H)-one

Base Information

• Chemical Name: 4-(benzylamino)furan-2(5H)-one
• CAS No.: 38470-54-1
• Molecular Formula: C₁₁H₁₁NO₂
• Molecular Weight: 189.214
• DSSTox Substance ID: DTXSID701346064
• Nikkaji Number: J182.469D
• Wikidata: Q63409190
• Mol file: 38470-54-1.mol

Synonyms:4-(benzylamino)furan-2(5H)-one;38470-54-1;4-(Benzylamino)-2,5-dihydrofuran-2-one;3-(benzylamino)-2H-furan-5-one;SCHEMBL3036155;JVDKXMKPYLYITQ-UHFFFAOYSA-N;DTXSID701346064;AKOS024288480;4-BENZYLAMINO-2(5H)-FURANONE;Q63409190

Chemical Property of 4-(benzylamino)furan-2(5H)-one

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 189.078978594
• Heavy Atom Count: 14
• Complexity: 242

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(=CC(=O)O1)NCC2=CC=CC=C2

Technology Process of 4-(benzylamino)furan-2(5H)-one

There total 8 articles about 4-(benzylamino)furan-2(5H)-one 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: 100.0%

methyl 3-benzylamino-5-oxo-2,5-dihydrofuran-2-carboxylate (1343468-59-6) → 4-benzylamino-2(5H)-furanone (38470-54-1)

Guidance literature:

methyl 3-benzylamino-5-oxo-2,5-dihydrofuran-2-carboxylate; With pentan-3-one; sodium hydroxide; In tetrahydrofuran; water; for 0.5h;

With hydrogenchloride; In tetrahydrofuran; water;

DOI:10.1055/s-0034-1378276

Reference yield: 95.0%

tetrahydrofuran-2,4-dione (4971-56-6) + benzylamine (100-46-9) → 4-benzylamino-2(5H)-furanone (38470-54-1)

Guidance literature:

In dichloromethane; at 20 ℃; for 6h;

DOI:10.1016/j.tet.2010.01.009

Reference yield: 83.0%

4-hydroxy-2(5H)-furanone (541-57-1) + benzylamine (100-46-9) → 4-benzylamino-2(5H)-furanone (38470-54-1)

Guidance literature:

In acetic acid; at 115 - 120 ℃; for 5h;

DOI:10.3987/COM-88-4594

upstream raw materials:

4-methoxy-5H-furan-2-one

benzylamine

4-hydroxy-2(5H)-furanone

ethyl (2-chloroaceto)acetate

Downstream raw materials:

4-{benzyl[(2-chloro-1,3-thiazol-5-yl)methyl]amino}furan-2(5H)-one

4-(dibenzylamino)furan-2(5H)-one

C₂₈H₂₆BrNO₇

C₂₄H₂₁NO₂