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Home > Encyclopedia > 2-Amino-5-nitropyrimidine

2-Amino-5-nitropyrimidine

2-Amino-5-nitropyrimidine structure

2-Amino-5-nitropyrimidine 

structure
  • CAS No:

    3073-77-6

  • Formula:

    C4H4N4O2

  • Chemical Name:

    2-Amino-5-nitropyrimidine

  • Synonyms:

    2-Pyrimidinamine,5-nitro-;Pyrimidine,2-amino-5-nitro-;5-Nitro-2-pyrimidinamine;2-Amino-5-nitropyrimidine;Enheptin P;5-Nitro-2-aminopyrimidine;NSC 37682;NSC 48065;5-Nitropyrimidin-2-ylamine;5-Nitropyrimidine-2-amine

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

Description

light yellow fine crystalline powder

2-Amino-5-nitropyrimidine Basic Attributes

140.1

140.10

221-348-1

48065|37682

DTXSID00184753

29335990

Characteristics

97.6

-0.3

Light yellow Fine Crystalline Powder

1.6±0.1 g/cm3

236 °C

402.4°C at 760 mmHg

197.1±26.5 °C

1.660

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Safety Information

IRRITANT

NONH for all modes of transport

3

36/37/38-20/21/22

26-37/39-36

Xi,Xn

Irritant

Stable under normal temperatures and pressures.

P261-P305 + P351 + P338

H315-H319-H335

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Amino-5-nitropyrimidine Use and Manufacturing

To a three-neck flask were added Toa three-neck flask were added 5-Nitropyrimidin-2-amine (1 eq), Boc2O (1.2 eq), 4-dimethylaminopyridine(0.2eq) were added to a flask under nitrogen atmosphere and dichloromethaneat room temperature. The mixture was stirred at room temperature overnight.Ethyl acetate was added and a precipitated formed was filtered and washedwith ethyl acetate to obtain the desired tert-butyl (5-nitropyridin-2-yl)carbamate.(Crude contains approximately 20% of tert-butyl (5-nitropyrimidin-2- yl)dicarbamate mixture. Was used in the next step without purification).HPLC-MS (method A): Rt= 2.83 mm, [M+H] m/z: 241.Yield: 78%.General procedure: 4-Nitrophenyl Wang resin I (0.5 g; 0.41 mmol; 0.81 mmol/g) in dry DCM (10 mL), and

Computed Properties

Molecular Weight:140.10
XLogP3:-0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Exact Mass:140.03342538
Monoisotopic Mass:140.03342538
Topological Polar Surface Area:97.6
Heavy Atom Count:10
Complexity:126
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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