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936250-22-5

936250-22-5 Structure

936250-22-5 Structure
IdentificationBack Directory
[Name]

2-Amino-pyrimidine-5-boronic acid
[CAS]

936250-22-5
[Synonyms]

>=95.0%
Minimum purity 95.0%
2-Amino-5-boronopyrimidine
2-AMinopyriMidine-5-boronic
2-Aminopyrimidine-5-boron...
2-Aminopyrimidine-5-boronicaci
2-aMino-4-pyMidine boronic acid
2-AMino-5-pyriMidineboronic acid
2-Aminopyrimidine-5-boronic acid
2-Aminopyrimidine-5-ylboronic acid
(2-amino-5-pyrimidinyl)boronic acid
Neu5Gc α(2-3)Gal β MP Glycoside >
Piperitone(mixtureof2enantiomers)>
2-aminopyrimidin-5-yl-5-boronic acid
2-Aminopyrimidine-5-boronic acid >=95.0%
Boronic acid, B-(2-amino-5-pyrimidinyl)-
Neu5Ac[1Me,4789Ac]α(2-6)Gal[24Bz,3Bn]-β-MP >
Galβ(1-3)GalNAcβ(1-3)Galα(1-4)Galβ(1-4)Glc-β-pNP >
2-Amino-pyrimidine-5-boronic acid ISO 9001:2015 REACH
1,3-Butanediol diacrylate, high purity, 1,3-Butylene glycol diacrylate
2-Aminopyrimidine-5-boronic Acid (contains varying amounts of Anhydride)
StandardMixtureofn-Paraffins(consistsofC17,C18,C19andC20)[StandardMaterialforGC]>
(2-aminopyrimidin-5-yl)boronic acid, 2-amino-pyrimidine-5-boronic acid, 2-aminopyrimidin-5-ylboronic acid, 2-aminopyrimidine-5-boronic acid, 2-amino-5-pyrimidylboronic acid, 2-amino-pyrimidin-5-yl-boronic acid, pyrimidin-2-ylamine-4-boronic acid
[Molecular Formula]

C4H6BN3O2
[MDL Number]

MFCD07375147
[MOL File]

936250-22-5.mol
[Molecular Weight]

138.92
Chemical PropertiesBack Directory
[Melting point ]

206-211℃
[Boiling point ]

487.0±55.0 °C(Predicted)
[density ]

1.44±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMSO (Slightly, Heated), Methanol (Slightly, Heated)
[form ]

Solid
[pka]

2.58±0.11(Predicted)
[color ]

Off-White
[Stability:]

Hygroscopic
[InChI]

1S/C4H6BN3O2/c6-4-7-1-3(2-8-4)5(9)10/h1-2,9-10H,(H2,6,7,8)
[InChIKey]

CGHYQZASLKERLV-UHFFFAOYSA-N
[SMILES]

Nc1ncc(cn1)B(O)O
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36/37/39
[WGK Germany ]

2
[HS Code ]

2933599590
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

May contain varying amounts of anhydride
[Uses]

2-Aminopyrimidine-5-boronic acid is used as pharmaceutical intermediates.
[Synthesis]

[2-[(tert-Butoxycarbonyl)amino]pyrimidin-5-yl]boronic acid

883231-25-2

2-Amino-pyrimidine-5-boronic acid

936250-22-5

Example 17 Synthesis of 2-aminopyrimidin-5-ylboronic acid III: [2-[(tert-butoxycarbonyl)amino]pyrimidin-5-yl]boronic acid (40.0 kg, 49 wt%, HPLC purity 82.0 mol) was dissolved in water (245 kg), and concentrated hydrochloric acid (39.6 L) was added slowly while keeping the temperature below 30°C. The reaction mixture was stirred for 12 hours and then cooled to 10°C. Subsequently, the pH of the mixture was adjusted to 6.5 with 50% aqueous sodium hydroxide solution while controlling the temperature below 15 °C and stirring was continued for 1 hour. After adding water (69.0 kg), the mixture was aged for 30 minutes. The resulting slurry was filtered and the filter cake was dried under vacuum at 50 °C to afford the target product 2-aminopyrimidin-5-ylboronic acid III (10.2 kg, 90% yield). The structure of the product was confirmed by 1H NMR (300 MHz, DMSO-d6): δ 8.50 (s, 2H), 7.97 (s, 2H), 6.74 (s, 2H).

[References]

[1] Patent: US2014/100366, 2014, A1. Location in patent: Page/Page column
Spectrum DetailBack Directory
[Spectrum Detail]

2-Amino-pyrimidine-5-boronic acid(936250-22-5)1HNMR
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