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3-Isoquinolinemethanol

3-Isoquinolinemethanol structure

CAS No:
76884-34-9
Formula:
C10H9NO
Chemical Name:
3-Isoquinolinemethanol
Synonyms:
3-Isoquinolinemethanol;3-(Hydroxymethyl)isoquinoline;Isoquinolin-3-ylmethanol
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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3-Isoquinolinemethanol Basic Attributes

Molecular Weight：

159.19

Exact Mass：

159.18

DSSTox ID：

DTXSID20512115

HScode：

2933499090

Characteristics

PSA：

33.1

XLogP3：

1.4

Density：

1.218±0.06 g/cm3 (20 ºC 760 Torr)

Melting Point：

81 °C

Boiling Point：

335.1°C at 760 mmHg

Flash Point：

156.5±20.9 °C

Refractive Index：

1.667

3-Isoquinolinemethanol Use and Manufacturing

General procedure: Freshly prepared Ag2O (2.20 mmol) was added at room temperature to a solution of pyridin-2-ylmethanol (1.00 mmol) and 2-iodopropane (2.20 mmol) in 1, 4-dioxane (10 mL) and stirred for 24 h. The reaction mixture was filtered through a Celite bed and washed with ethyl acetate. Filtrate was concentrated under vacuum.The resulting material was purified by flash chromatography on a Biotage instrumentusing 4-g flash cartridge and eluted with 12'15percent ethyl acetate in hexane to give isopropyl picolinate (2) (65percent yield).The product so obtained was reduced to 2-Amino-4-(isoquinolin-3-yl-methoxy)-6-pyrazol-1-yl-pyrimidine-5-carbonitrile From 2-amino-4-methanesulfinyl-6-pyrazol-1-yl-pyrimidine-5-carbonitrile,

Computed Properties

Molecular Weight:159.18
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:159.068413911
Monoisotopic Mass:159.068413911
Topological Polar Surface Area:33.1
Heavy Atom Count:12
Complexity:149
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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isoquinolin-3-ylmethanol

CAS No.: 76884-34-9

Content: 99.00%

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