5-(2-Furyl)isoxazole-3-carboxylic acid

Base Information

• Chemical Name: 5-(2-Furyl)isoxazole-3-carboxylic acid
• CAS No.: 98434-06-1
• Molecular Formula: C8H5NO4
• Molecular Weight: 179.132
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID90360221
• Wikidata: Q72479868
• Mol file: 98434-06-1.mol

Synonyms:98434-06-1;5-(2-furyl)isoxazole-3-carboxylic acid;5-(Furan-2-yl)isoxazole-3-carboxylic acid;5-Furan-2-yl-isoxazole-3-carboxylic acid;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid;MFCD04113954;BAS 07803752;ChemDiv2_003289;SCHEMBL569522;AMY1685;DTXSID90360221;MLWFYCMVBAIITM-UHFFFAOYSA-N;HMS1378F11;BBL030217;STK347891;AKOS000263515;CS-W007055;SB60912;SY015179;TS-00191;5-(Furan-2-yl)isoxazole-3-carboxylicacid;BB 0258736;FT-0642368;EN300-25489;5-(2-FURYL)-3-ISOXAZOLECARBOXYLIC ACID;A845860;J-517573;5-furan-2-yl-isoxazole-3-carboxylic acid, AldrichCPR;F2135-0506;Z208298540

Chemical Property of 5-(2-Furyl)isoxazole-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 9.5E-08mmHg at 25°C
• Melting Point: 151 °C
• Refractive Index: 1.555
• Boiling Point: 418.4 °C at 760 mmHg
• PKA: 3.33±0.10(Predicted)
• Flash Point: 206.8 °C
• PSA: 76.47000
• Density: 1.42 g/cm³
• LogP: 1.63280
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 179.02185764
• Heavy Atom Count: 13
• Complexity: 208

Purity/Quality:

97% ^*data from raw suppliers

5-Furan-2-yl-isoxazole-3-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 22-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=COC(=C1)C2=CC(=NO2)C(=O)O

Technology Process of 5-(2-Furyl)isoxazole-3-carboxylic acid

There total 3 articles about 5-(2-Furyl)isoxazole-3-carboxylic 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: 90.0%

5-furan-2-yl-isoxazole-3-carboxylic acid ethyl ester (33545-40-3) → 5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid (98434-06-1)

Guidance literature:

5-furan-2-yl-isoxazole-3-carboxylic acid ethyl ester; With lithium hydroxide; water; In tetrahydrofuran; methanol; for 15h;

With hydrogenchloride; In water;

Reference yield:

1-(2-furyl)-1-ethanone (1192-62-7,80145-44-4) → 5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid (98434-06-1)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium; diethyl ether

2: aqueous ethanol; NH₂OH+HCl

3: aqueous HCl

With hydrogenchloride; diethyl ether; ethanol; hydroxylamine; sodium;

Reference yield:

ethyl 4-(furan-2-yl)-2,4-dioxobutyrate (36983-35-4) → 5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid (98434-06-1)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous ethanol; NH₂OH+HCl

2: aqueous HCl

With hydrogenchloride; ethanol; hydroxylamine;

upstream raw materials:

5-furan-2-yl-isoxazole-3-carboxylic acid ethyl ester

1-(2-furyl)-1-ethanone

ethyl 4-(furan-2-yl)-2,4-dioxobutyrate

Downstream raw materials:

SKL2001

N-(1-{[2,4-bis(trifluoromethyl)phenyl]methyl}-1H-pyrazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

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