ChemicalBook--->CAS DataBase List--->4570-41-6

4570-41-6

4570-41-6 Structure

4570-41-6 Structure
IdentificationBack Directory
[Name]

BENZOOXAZOL-2-YLAMINE
[CAS]

4570-41-6
[Synonyms]

BI-II786BS
2-Benzoxazolamine
2-amino-benzoxazol
2-AMINOBENZOXAZOLE
benzoxazol-2-amine
Benzoxazole-2-amine
Benzoxazol-2-ylamine
Pramipexole impurity
ENZOOXAZOL-2-YLAMINE
Benzoxazole, 2-amino-
BENZOOXAZOL-2-YLAMINE
BENZO[D]OXAZOL-2-AMINE
1,3-BENZOXAZOL-2-AMINE
Pramipexole Impurity U
2-Aminobenzoxazole >
Pramipexole Impurity 45
2-Amino-1,3-benzoxazole
2-AMinobenzoxazole, 97+%
1,3-benzoxazol-2-ylamine
2-AMinobenzoxazole >=97.0%
Pramipexole Impurity ABCDE
pramipexole impurities1168
Praxsol Hydrochloride Impurity I
1,3-benzoxazol-2-amine(SALTDATA: FREE)
PraMipexole IMpurity (2-AMinobenzoxazole)
Benzo[d]oxazol-2-amine (Pramipexole Impurity)
[EINECS(EC#)]

224-952-3
[Molecular Formula]

C7H6N2O
[MDL Number]

MFCD00182850
[MOL File]

4570-41-6.mol
[Molecular Weight]

134.14
Questions And AnswerBack Directory
[Preparation]

2-Aminophenol (0.1 mol, 10.9 g) was liquefied in methanol (100 mL) and cooled to 5°C by adding crushed ice. A cold suspension of cyanogen bromide (0.1 mol, 10.5 g) in water (100 mL) was added with rapid stirring over 5 minutes. The reaction mixture was stimulated/stirred at room temperature for 1 hour, followed by the addition of solid sodium bicarbonate (0.1 mol, 8.4 g) in portions over 1.5 hours to adjust the pH to 6.5–7.0. Stirring continued over the next hour. The resulting solid compound, Pramipexole Impurity 14, was separated by filtration, washed with cold water, and recrystallized from ethanol, with a yield of 95%.
Chemical PropertiesBack Directory
[Melting point ]

128-133℃
[Boiling point ]

247.23°C (rough estimate)
[density ]

1.2296 (rough estimate)
[refractive index ]

1.5880 (estimate)
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly)
[form ]

Solid
[pka]

2.75±0.10(Predicted)
[color ]

Off-White to Light Brown
[BRN ]

115981
[InChI]

InChI=1S/C7H6N2O/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)
[InChIKey]

JPBLHOJFMBOCAF-UHFFFAOYSA-N
[SMILES]

O1C2=CC=CC=C2N=C1N
Safety DataBack Directory
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

22-36/37/38-52
[Safety Statements ]

26
[WGK Germany ]

3
[RTECS ]

DM4500000
[HazardClass ]

IRRITANT
[HS Code ]

29349990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

White to yellow to brown powder
[Uses]

2-Aminobenzoxazole and its isothiocyanate derivatives are used as antihelminthic agents, and its fluorescence properties make it of use in the dye industry. It is also used as a reagent to synthesize N-benzothiazolyl-2-arylacetamide derivatives, Protein Kinase 1 inhibitors that can be used to treat amyotrophic lateral sclerosis.
Spectrum DetailBack Directory
[Spectrum Detail]

Pramipexole Impurity 14(4570-41-6)1HNMR
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