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2,6-DIAMINO-4-METHOXYPYRIMIDINE

2,6-DIAMINO-4-METHOXYPYRIMIDINE structure

CAS No:
3270-97-1
Formula:
C5H8N4O
Chemical Name:
2,6-DIAMINO-4-METHOXYPYRIMIDINE
Synonyms:
2,4-Diamino-6-methoxypyrimidine;6-methoxy-pyrimidine-2,4-diamine;2,6-DIAMINO-4-METHOXYPYRIMIDINE;2-AMINO-6-METHOXYPYRIMIDIN-4-YLAMINE;2,6-Diamino-4-methoxypyrimidine,97%;2,4-Pyrimidinediamine,6-methoxy-(9CI)
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Light yellow solid

2,6-DIAMINO-4-METHOXYPYRIMIDINE Basic Attributes

Molecular Weight：

140.14

Exact Mass：

140.07000

DSSTox ID：

DTXSID10355715

HScode：

2933599090

Characteristics

PSA：

XLogP3：

-0.2

Density：

1.341g/cm3

Melting Point：

162.0 to 166.0 °C

Boiling Point：

429.4±48.0°C at 760 mmHg

Flash Point：

213.5ºC

Safety Information

hazard class code：

36/37/38

safety instructions：

26-36

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

2,6-DIAMINO-4-METHOXYPYRIMIDINE Use and Manufacturing

To a solution of 9.2 g (0.40 mol) sodium in 320 ml methanol were added 28.9 g (0.20 mol) 2, 4-diamino-6-chloropyrimidine. EXAMPLE 3 Preparation of diethyl 6-methoxypyrimidine-2, 4-dioxamate monohydrate: The compound was synthesized as in Synthetic example 1a-1 except that 2, 4-diamino-6-methoxypyrimidine was used as a starting material in place of 2, 4-diamino-6-methylpyrimidine in Synthetic example 1a-1 and that the following processes were performed. 2, 4-Diamino-6-chloropyrimidine (17.34 g: 120 mmol) and sodium methoxide (38.9 g) were sequentially added to t-butanol (60 mL) and N-ethylpyrrolidone (30 mL) under a nitrogen gas flow, followed by stirring with heating at 80 C. for 2 hours. The reaction solution was cooled to 60 C., and methyl benzoate (38.9 g: 288 mol) was dropwise added thereto, followed by stirring with heating at 60 C. for 2 hours. The reaction solution was added to a liquid mixture of iced water (130 mL) and concentrated hydrochloric acid (51 mL), followed by heating to 50 C. to completely dissolve the solid component. The organic layer was separated, and methanol (100 mL) and water (100 mL) were added thereto, followed by stirring under ice cooling for 1 hour. The precipitated product was collected by filtration, and the resulting crystals were washed with a poured methanol/water solvent mixture and then water. After ventilation drying at 50 C. for 13 hours, 38 g (yield: 85%) of compound (1-9) was yielded.

Computed Properties

Molecular Weight:140.14
XLogP3:-0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:140.06981089
Monoisotopic Mass:140.06981089
Topological Polar Surface Area:87
Heavy Atom Count:10
Complexity:110
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,6-DIAMINO-4-METHOXYPYRIMIDINE

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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2,6-DIAMINO-4-METHOXYPYRIMIDINE

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