PYRAZOL-1-YL-METHANOL
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PYRAZOL-1-YL-METHANOL
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CAS No:
1120-82-7
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Formula:
C4H6N2O
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Chemical Name:
PYRAZOL-1-YL-METHANOL
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Synonyms:
NSC50562.;1-Pyrazolylmethanol;PYRAZOL-1-YL-METHANOL;1H-Pyrazole-1-methanol;PYRAZOLE-1-YL-METHANOL;1H-pyrazol-1-ylMethanol;N-(Hydroxymethyl)pyrazole;1-(Hydroxymethyl)pyrazole;Pyrazole-1-methanol(7CI,8CI);1-(hydroxymethyl)-1H-pyrazole
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CAS No:
Characteristics
38
-1
1.21±0.1 g/cm3 (20 ºC 760 Torr)
89-90℃ (ethanol water )
214.0±23.0℃ (760 Torr)
83.2±22.6℃
1.565
0mmHg at 25°C
Safety Information
|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.
PYRAZOL-1-YL-METHANOL Use and Manufacturing
A roundbottom flask comprising pyrazole (144 mmol, 100 g) and methanol (about 200 mL) was charged with formaldehyde (131 g, 37percent aq. solution). The reaction mixture was stirred at 25 °C for 4 hours to give a (0193) homogenous solution. The solvent was removed under reduced pressure and dried in vacuo hours, yielding the title compound (127 g, 90percent).The 1H-pyrazolyl-1-methanol as starting material were preparedin processes described in literature [1]. The CH2Cl2 solution(100 mL) of pyrazole (20.4 g, 0.30 mol) was added a CH2Cl2 solution(100 mL) of para-formaldehyde (9.00 g, 0.30 mol). The solutionwas reflux for 5 days and the filtrate solvent was removedunder reduced pressure to give white powder (28.5 g, 98.0percent). 1HNMR (CDCl3, 400 MHz) for 1H-pyrazolyl-1-methanol: d 7.71 (s, 1H), 7.59 (d, 1H, J = 2.24 Hz), 7.56 (d, 1H, J = 1.48 Hz), 6.29 (t, 1H, J = 1.8 Hz), 5.51 (s, 2H).After dissolving 20.4 g (0.300 mol) of pyrazole and 9.0 g (0.300 mol) of para-formaldehyde in 400 mL of methylene chloride, the reaction was carried out at 60 ° C. for 4 days using a reflux condenser . The reaction mixture was dried under reduced pressure, and the reaction mixture obtained after the removal was washed with 100 ml of hexane three times, followed by vacuum drying under reduced pressure.The yield of (1H-1-pyrazolyl-1-methanol) obtained was 34.8 g (96.6percent).
Computed Properties
Molecular Weight:98.10
XLogP3:-1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:98.048012819
Monoisotopic Mass:98.048012819
Topological Polar Surface Area:38
Heavy Atom Count:7
Complexity:57.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes