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1-Methyl-1H-pyrazol-5-ol

1-Methyl-1H-pyrazol-5-ol structure

CAS No:
33641-15-5
Formula:
C4H6N2O
Chemical Name:
1-Methyl-1H-pyrazol-5-ol
Synonyms:
1H-Pyrazol-5-ol,1-methyl-;Pyrazol-5-ol,1-methyl-;1-Methyl-1H-pyrazol-5-ol;5-Hydroxy-1-methylpyrazole;1-Methyl-5-hydroxypyrazole;5-Hydroxy-1-methyl-5-pyrazole;1-Methyl-5-hydroxy-1H-pyrazole;2-Methyl-2H-pyrazol-3-ol
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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1-Methyl-1H-pyrazol-5-ol Basic Attributes

Molecular Weight：

98.1

Exact Mass：

98.10

HScode：

2933199090

Characteristics

PSA：

32.3

XLogP3：

-0.1

Density：

1.2±0.1 g/cm3

Melting Point：

70-110 °C @ Solvent: Benzene

Boiling Point：

217.6°C at 760 mmHg

Flash Point：

85.4±19.8 °C

Refractive Index：

1.568

Safety Information

wgk germany：

hazard class code：

22-37/38-41

safety instructions：

26-39

Marks：

Xn: Harmful;

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-Methyl-1H-pyrazol-5-ol Use and Manufacturing

Methods of Manufacturing

22g NaOH was dissolved in 300mL of water and 42.5g of Intermediate (A-1-2) was added, stirred at 40°C for 3h and then cooled to room temperature. 55mL of concentrated hydrochloric acid was added dropwise, followed by heating under reflux for 3h. The solved was distilled off under reduced pressure and the residue was added 200mL of absolute ethanol and was stirred sufficiently and filtered the precipitates. The filtrate was concentrated under reduced pressure to give a white solid 24g (A-1-3), yield: 98.0percent, HPLC purity: 96.50percent.3-Methoxyacrylic acid methyl ester (4 g, 34.45 mmol) was dissolved in methanol (50 ml) and cooled to O

Uses

5-Hydroxy-1-methylpyrazole is a pyrazole derivative used as an intermediate in the preparation of herbicides.

Computed Properties

Molecular Weight:98.10
XLogP3:-0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:98.048012819
Monoisotopic Mass:98.048012819
Topological Polar Surface Area:32.3
Heavy Atom Count:7
Complexity:119
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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