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Home > Encyclopedia > 2-Pyrimidinamine, 5-methyl- (9CI)

2-Pyrimidinamine, 5-methyl- (9CI)

2-Pyrimidinamine, 5-methyl- (9CI) structure

2-Pyrimidinamine, 5-methyl- (9CI) 

structure
  • CAS No:

    50840-23-8

  • Formula:

    C5H7N3

  • Chemical Name:

    2-Pyrimidinamine, 5-methyl- (9CI)

  • Synonyms:

    2-Pyrimidinamine, 5-methyl- (9CI);5-methylpyrimidin-2-amine;2-amino-5-methylpyrimidine;5-Methyl-2-pyrimidinamine;5-Methylpyrimidine-2-amine;5-Methyl-2-aminopyrimidine;2-PyriMidinaMine, 5-Methyl-;5-Methyl-pyrimidin-2-ylamine

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

2-Pyrimidinamine, 5-methyl- (9CI) Basic Attributes

109.12918

109.063995

DTXSID00514677

2933599090

Characteristics

51.8

0.2

1.155

192-193℃

283.4°C at 760 mmHg

149.9±12.6 °C

1.582

Safety Information

3

22

Xn

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

H302

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

2-Pyrimidinamine, 5-methyl- (9CI) Use and Manufacturing

Step 1 : To a solution of compound 184 (10.0 g, 77.79 mmol) in IMS (100 ml.) was added aqueous ammonia (35percent, 100 ml). The reaction mixture was transferred to a sealed bomb and heated at 200 °C for 4 h. The reaction mixture was allowed to cool to room temperature and was concentrated to remove most of the solvent and water (25 ml.) added. The solid obtained was filtered and dried under vacuum to give the desired compound 185 as off-white solid (7.85 g, 92percent yield).Step B: A mixture of 2-[bis(tert-butoxycarbonyl)amino]-5-bromopyrimidine (3.0 g, 8.0 mmol), dimethylzinc (1.2 M x 8.0 mL, 9.6 mmol) and [Ι , - bis(diphenylphosphino)ferrocene]dichloropalladium(II) (130 mg, 0.16 mmol) in 1 , 4-dioxane (30 mL) was stirred at 1 10 °C for 16 h under Argon. The mixture was cooled to room temperature, diluted with ethyl acetate and washed with saturated NHStep B: A mixture of 2-[bis(tert-butoxycarbonyl)amino]-5-bromopyrimidine (3.0 g, 8.0 mmol), dimethylzinc (1.2 M×8.0 mL, 9.6 mmol) and [1, 1′-bis(diphenylphosphino)ferrocene]dichloropalladium(II) (130 mg, 0.16 mmol) in 1, 4-dioxane (30 mL) was stirred at 110° C. for 16 h under Argon. The mixture was cooled to room temperature, diluted with ethyl acetate and washed with saturated NH

Computed Properties

Molecular Weight:109.13
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:109.063997236
Monoisotopic Mass:109.063997236
Topological Polar Surface Area:51.8
Heavy Atom Count:8
Complexity:66.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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