1,3-Oxazol-2-amine

Base Information

• Chemical Name: 1,3-Oxazol-2-amine
• CAS No.: 4570-45-0
• Molecular Formula: C3H4N2O
• Molecular Weight: 84.0776
• Hs Code.: 29349990
• European Community (EC) Number: 610-269-1
• DSSTox Substance ID: DTXSID00339766
• Nikkaji Number: J1.584.007B
• Wikidata: Q72498235
• Mol file: 4570-45-0.mol

Synonyms:2-aminooxazole

Chemical Property of 1,3-Oxazol-2-amine

Chemical Property:

• Vapor Pressure: 0.655mmHg at 25°C
• Melting Point: 93-95℃
• Refractive Index: 1.529
• Boiling Point: 186.679 °C at 760 mmHg
• PKA: 5.45±0.10(Predicted)
• Flash Point: 66.702 °C
• PSA: 52.05000
• Density: 1.241 g/cm³
• LogP: 0.83800
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Soluble), Ethyl Acetate (Slightly)
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 84.032362755
• Heavy Atom Count: 6
• Complexity: 48.1

Purity/Quality:

99% ^*data from raw suppliers

2-Aminooxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 34-36/37/38
• Safety Statements: 26-36/37/39-45-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=COC(=N1)N
• Uses: 2-Aminooxazole is a chemical reagent used in the synthesis of novel inhibitors of the kinetoplastid Trypanosoma brucei.

Technology Process of 1,3-Oxazol-2-amine

There total 2 articles about 1,3-Oxazol-2-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:

CYANAMID (420-04-2) + Glycolaldehyde (141-46-8) → 2-amino-1,3-oxazole (4570-45-0) + 1H-imidazol-2-amine (7720-39-0)

Guidance literature:

With ammonium chloride; sodium phosphate; In water; at 60 ℃; for 1h; pH=7; pH-value;

DOI:10.1021/jacs.7b01562

Reference yield:

CYANAMID (420-04-2) + mercaptoacetaldehyde (4124-63-4) + Glycolaldehyde (141-46-8) → 2-amino-1,3-oxazole (4570-45-0) + 2-thiazolylamine (96-50-4)

Guidance literature:

pH=7; aq. phosphate buffer;

DOI:10.1021/ja306176n

Reference yield: 99.0%

2-amino-1,3-oxazole (4570-45-0) + 2-Chloroanisole (766-51-8) → N-(2-methoxyphenyl)oxazol-2-amine

Guidance literature:

With [(2,6-bis(2,4,6-triisopropylphenyl)phenyl)dicyclohexylphosphine](allyl-η³)palladium(II) chloride; potassium hydrogencarbonate; In tert-butyl alcohol; at 100 ℃; for 12h; Reagent/catalyst; Solvent; Inert atmosphere; Sealed tube;

upstream raw materials:

CYANAMID

mercaptoacetaldehyde

Glycolaldehyde

Downstream raw materials:

1-oxazol-2-yl-3-propyl-urea

1-ethyl-3-oxazol-2-yl-thiourea

1-oxazol-2-yl-3-propyl-thiourea

1-oxazol-2-yl-3-phenethyl-thiourea

Refernces

• 1、 Powner, Matthew W.,Zheng, Shao-Liang,Szostak, Jack W.. "Multicomponent assembly of proposed DNA precursors in water". . p. 13889 - 13895. Retrieved 2012.