1-(3-Methoxyisoxazol-5-yl)propan-1-one

Base Information

Chemical Name:1-(3-Methoxyisoxazol-5-yl)propan-1-one
CAS No.:54258-29-6
Molecular Formula:C7H9NO3
Molecular Weight:155.15
Hs Code.:
DSSTox Substance ID:DTXSID001283833
Mol file:54258-29-6.mol

Synonyms:54258-29-6;1-(3-Methoxyisoxazol-5-yl)propan-1-one;DTXSID001283833;1-(3-Methoxy-5-isoxazolyl)-1-propanone

Suppliers and Price of 1-(3-Methoxyisoxazol-5-yl)propan-1-one

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of 1-(3-Methoxyisoxazol-5-yl)propan-1-one

Chemical Property:

Melting Point:64.5-65.5 °C(Solv: ethanol (64-17-5); water (7732-18-5))
Boiling Point:260.4±20.0 °C(Predicted)
PKA:-5.03±0.50(Predicted)
PSA：52.33000
Density:1.128±0.06 g/cm3(Predicted)
LogP:1.27590
XLogP3:1.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:155.058243149
Heavy Atom Count:11
Complexity:149

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCC(=O)C1=CC(=NO1)OC

Technology Process of 1-(3-Methoxyisoxazol-5-yl)propan-1-one

There total 2 articles about 1-(3-Methoxyisoxazol-5-yl)propan-1-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:

: 13626-59-0
3-methoxyisoxazole-5-carboxylic acid

: 54258-29-6
3-Methoxy-5-propionylisoxazol

Guidance literature:: Multi-step reaction with 2 steps

1: SOCl₂ / dimethylformamide / 0.08 h / Heating

2: (i) 3.4-dihydro-2H-pyrane, H₂SO₄, benzene, (ii) NaH, benzene, (iii) /BRN= 608244/, (iV) AcOH

With thionyl chloride; In N,N-dimethyl-formamide;

Reference yield:

: 516-05-2
methyl-propanedioic acid

: 54258-24-1
3-methoxy-5-isoxazolecarboxylic acid chloride

: 54258-29-6
3-Methoxy-5-propionylisoxazol

Guidance literature:: Multistep reaction; (i) 3.4-dihydro-2H-pyrane, H₂SO₄, benzene, (ii) NaH, benzene, (iii) /BRN= 608244/, (iV) AcOH;

Reference yield:

: 54258-29-6
3-Methoxy-5-propionylisoxazol

: 54258-31-0
3-Methoxy-5-(1-aminopropyl)isoxazol

Guidance literature:: Multi-step reaction with 2 steps

1: NH₂OH*HCl, NaOAc*3H₂O / aq. ethanol / 0.5 h / Heating

2: Al-Hg / methanol; H₂O / 1.5 h / Ambient temperature

With aluminium amalgam; hydroxylamine hydrochloride; sodium acetate; In methanol; ethanol; water;