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5-Methyl-1H-pyrazole-3-carboxylic acid ethyl ester

5-Methyl-1H-pyrazole-3-carboxylic acid ethyl ester structure

CAS No:
4027-57-0
Formula:
C7H10N2O2
Chemical Name:
5-Methyl-1H-pyrazole-3-carboxylic acid ethyl ester
Synonyms:
1H-Pyrazole-3-carboxylic acid,5-methyl-,ethyl ester;Pyrazole-3-carboxylic acid,5-methyl-,ethyl ester;Pyrazole-3(or 5)-carboxylic acid,5(or 3)-methyl-,ethyl ester;Ethyl 3-methyl-5-pyrazolecarboxylate;Ethyl 5-methylpyrazole-3-carboxylate;3-Ethoxycarbonyl-5-methylpyrazole;5-Methyl-1H-pyrazole-3-carboxylic acid ethyl ester;NSC 44006;NSC 62433;5-Methylpyrazole-3-carboxylic acid ethyl ester;Ethyl 5-methyl-1H-pyrazole-3-carboxylate;129506-37-2;133261-00-4;136679-07-7;141665-26-1;17599-24-5;84501-66-6;89239-81-6;681468-22-4;684287-97-6;695184-13-5;741706-00-3;856691-69-5;174198-27-7;209601-45-6;278798-26-8;890719-15-0;1096969-08-2
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Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

White to yellow solid

5-Methyl-1H-pyrazole-3-carboxylic acid ethyl ester Basic Attributes

Molecular Weight：

154.17

Exact Mass：

154.17

EC Number：

223-702-0

NSC Number：

62433|44006

DSSTox ID：

DTXSID50193259

HScode：

2933199090

Characteristics

PSA：

XLogP3：

1.2

Density：

1.2±0.1 g/cm3

Melting Point：

82 °C

Boiling Point：

299.1°C at 760 mmHg

Flash Point：

134.7±21.8 °C

Refractive Index：

1.520

Vapor Pressure：

0.137mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S37/39

Marks：

Xi:Irritant;

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302+H312+H332

GHS Classification：

|Warning|H302+H312+H332 (33.33%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

5-Methyl-1H-pyrazole-3-carboxylic acid ethyl ester Use and Manufacturing

Hydrazine monohydrate (5.4 ml_, 110.68 mmol) was added to a 0The title compound is commercially available (Maybridge), but has been prepared as follows (J. Med. Chem. 2002, 45, 1035): Hydrazine monohydrate (25.6 g, 162 mmol) was added to a solution of ethyl 2, 4-dioxovalerate (7.85 mL, 162 mmol) in absolute EtOH. The mixture was heated at reflux for 2 h and concentrated to give a yellow oil. Crystallisation from EtOH:water (1:3) gave the title compound (14.225 g, 57 percent) as colourless needles. 1NMR (DMSO-de, 400 MHz) 5 13.2 (br. s, 1H), 6.47 (s, 1H), 4.22 (q, 2H), 2.23 (s, 3H), 1.25 (t, 3H).

Computed Properties

Molecular Weight:154.17
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:154.074227566
Monoisotopic Mass:154.074227566
Topological Polar Surface Area:55
Heavy Atom Count:11
Complexity:149
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Ethyl 3-methyl-1H-pyrazole-5-carboxylate

CAS No.: 4027-57-0

Content: 99.00%

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CAS No.: 4027-57-0

Grade: pharmaceutical grade

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Guide of 5-Methyl-1H-pyrazole-3-carboxylic acid ethyl ester

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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5-Methyl-1H-pyrazole-3-carboxylic acid ethyl ester

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