3-(Furan-2-yl)-1,2-oxazol-5-amine

Base Information

• Chemical Name: 3-(Furan-2-yl)-1,2-oxazol-5-amine
• CAS No.: 33866-44-3
• Molecular Formula: C₇H₆N₂O₂
• Molecular Weight: 150.137
• Hs Code.: 2934999090
• European Community (EC) Number: 636-465-7
• DSSTox Substance ID: DTXSID60368870
• Wikidata: Q82155736
• ChEMBL ID: CHEMBL1507813
• Mol file: 33866-44-3.mol

Synonyms:33866-44-3;3-(Furan-2-yl)isoxazol-5-amine;3-(2-furyl)isoxazol-5-amine;3-(furan-2-yl)-1,2-oxazol-5-amine;5-Amino-3-(fur-2-yl)isoxazole;MLS000058504;3-(2-Furanyl)-5-isoxazolamine;SMR000068027;CHEMBL1507813;NIOSH/NY1886057;SCHEMBL14072067;BDBM71728;cid_2517654;DTXSID60368870;HMS2386B07;[3-(2-furyl)isoxazol-5-yl]amine;5-Isoxazolamine, 3-(2-furanyl)-;AR2468;BBL029464;MFCD01754641;STL250431;AKOS000143677;3-(2-FURYL)-5-ISOXAZOLAMINE;PS-5802;SB61095;LS-86473;CS-0171534;FT-0758204;NY18860570;EN300-12250;A912347;Z85918824

Chemical Property of 3-(Furan-2-yl)-1,2-oxazol-5-amine

Chemical Property:

• Vapor Pressure: 2.54E-05mmHg at 25°C
• Boiling Point: 358.5°Cat760mmHg
• PKA: -1.78±0.50(Predicted)
• Flash Point: 170.6°C
• PSA: 65.19000
• Density: 1.296g/cm³
• LogP: 2.09800
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 150.042927438
• Heavy Atom Count: 11
• Complexity: 142

Purity/Quality:

97% ^*data from raw suppliers

3-(Furan-2-yl)isoxazol-5-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=COC(=C1)C2=NOC(=C2)N

Technology Process of 3-(Furan-2-yl)-1,2-oxazol-5-amine

There total 2 articles about 3-(Furan-2-yl)-1,2-oxazol-5-amine 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: 63.0%

2-furoylacetonitrile (31909-58-7) → 3-(furan-2-yl)isoxazol-5-amine (33866-44-3)

Guidance literature:

With hydroxylamine hydrochloride; sodium acetate; In methanol; at 20 ℃; Inert atmosphere;

DOI:10.1021/acs.orglett.8b00971

Reference yield:

Ethyl 2-furoate (614-99-3) + acetonitrile (75-05-8,26809-02-9) → 3-(furan-2-yl)isoxazol-5-amine (33866-44-3)

Guidance literature:

Ethyl 2-furoate; acetonitrile; With sodium hydride;

With hydroxylamine;

DOI:10.1021/cc100040q

Reference yield:

3-(furan-2-yl)isoxazol-5-amine (33866-44-3) → 2-amino-3-(furan-2-yl)-3,3-bis(phenylthio)propanamide

Guidance literature:

Multi-step reaction with 2 steps

1: iron(II) chloride tetrahydrate / acetonitrile / 20 °C / Inert atmosphere

2: ethanol; aq. phosphate buffer / 20 h / 37 °C / 760.05 Torr / pH 7.4 / Inert atmosphere

With iron(II) chloride tetrahydrate; In aq. phosphate buffer; ethanol; acetonitrile;

DOI:10.1021/acs.orglett.0c00415

upstream raw materials:

2-furoylacetonitrile

Ethyl 2-furoate

acetonitrile

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