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5-pyrimidineethanol

5-pyrimidineethanol structure

CAS No:
875251-47-1
Formula:
C6H8N2O
Chemical Name:
5-pyrimidineethanol
Synonyms:
5-pyrimidineethanol;2-(pyriMidin-5-yl)ethan-1-ol;2-(pyriMidin-5-yl)ethanol;2-(Pyrimidin-5-yl)
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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5-pyrimidineethanol Basic Attributes

Molecular Weight：

124.14052

Exact Mass：

124.06400

DSSTox ID：

DTXSID40622720

HScode：

2933599090

Characteristics

PSA：

XLogP3：

-0.2

Density：

1.168

Boiling Point：

252℃

Flash Point：

106℃

Refractive Index：

1.544

5-pyrimidineethanol Use and Manufacturing

Synthesis of 2-(pyrimidin-5-yl) ethanol: [0713] To a stirred solution of ethyl 2-(pyrimidin-5-yl) acetate (200 mg, 1.20 mmol) in ethanol (15 mL) under argon atmosphere was added sodium borohydride (91 mg, 2.40 mmol) at 0 °C; warmed to room temperature and stirred for 16 h. The reaction was monitored by TLC; after completion of the reaction, the reaction mass was quenched with ice-water (2 mL) and the volatiles were removed in vacuo to obtain the crude. The crude was purified through silica gel column chromatography using 4percent MeOH/ CH[0712] Synthesis of 2-(pyrimidin-5-yl) ethanol: [0713] To a stirred solution of ethyl 2-(pyrimidin-5-yl) acetate (200 mg, 1.20 mmol) in ethanol (15 mL) under argon atmosphere was added sodium borohydride (91 mg, 2.40 mmol) at 0 °C; warmed to room temperature and stirred for 16 h. The reaction was monitored by TLC; after completion of the reaction, the reaction mass was quenched with ice-water (2 mL) and the volatiles were removed in vacuo to obtain the crude. The crude was purified through silica gel column chromatography using 4percent MeOH/ CH

Computed Properties

Molecular Weight:124.14
XLogP3:-0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:124.063662883
Monoisotopic Mass:124.063662883
Topological Polar Surface Area:46
Heavy Atom Count:9
Complexity:71.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 875251-47-1

Grade: Pharmaceutical Grade

Content: 99%

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