4-Amino-5-methyl-5-(propan-2-yl)furan-2(5H)-one

Base Information

Chemical Name:4-Amino-5-methyl-5-(propan-2-yl)furan-2(5H)-one
CAS No.:99563-93-6
Molecular Formula:C₈H₁₃NO₂
Molecular Weight:155.197
Hs Code.:2932209090
DSSTox Substance ID:DTXSID10540664
Mol file:99563-93-6.mol

Synonyms:99563-93-6;4-Amino-5-isopropyl-5-methylfuran-2(5H)-one;4-Amino-5-methyl-5-(propan-2-yl)furan-2(5H)-one;DTXSID10540664

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Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 4-Amino-5-methyl-5-(propan-2-yl)furan-2(5H)-one

Chemical Property:

PSA：52.32000
LogP:1.50080
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:155.094628657
Heavy Atom Count:11
Complexity:220

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)C1(C(=CC(=O)O1)N)C

Technology Process of 4-Amino-5-methyl-5-(propan-2-yl)furan-2(5H)-one

There total 4 articles about 4-Amino-5-methyl-5-(propan-2-yl)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: 62.0%

: 99563-83-4
2-acetoxy-2,3-dimethylbutanenitrile

: 99563-93-6
4-amino-5-isopropyl-5-methyl-2(5H)-furanone

Guidance literature:: With lithium hexamethyldisilazane; In tetrahydrofuran; at -78 ℃; for 2h;
DOI:10.1016/S0040-4039(00)94853-6

Reference yield:

: 563-80-4
3-methyl-butan-2-one

: 99563-93-6
4-amino-5-isopropyl-5-methyl-2(5H)-furanone

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) ZnI₂, 2.) FeCl₃

2: 62 percent / LiN(SiMe₃)2 / tetrahydrofuran / 2 h / -78 °C

With lithium hexamethyldisilazane; iron(III) chloride; zinc(II) iodide; In tetrahydrofuran;
DOI:10.1016/S0040-4039(00)94853-6

Reference yield:

: 563-80-4
3-methyl-butan-2-one

: 99563-93-6
4-amino-5-isopropyl-5-methyl-2(5H)-furanone

Guidance literature:: Multi-step reaction with 3 steps

1: zinc iodide / benzene / Ambient temperature

2: iron(III) chloride / 1 h / 0 deg C to room temp.

3: 62 percent / LiN(SiMe₃)2 / tetrahydrofuran / -78 °C

With iron(III) chloride; zinc(II) iodide; lithium hexamethyldisilazane; In tetrahydrofuran; benzene;
DOI:10.1246/bcsj.60.2139