2-Methyl-2-propanyl 4-bromo-1H-pyrazole-1-carboxylate

Basic Information

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CAS Number

1150271-23-0

Molecular Formula

C8H11BrN2O2

Molecular Weight

247.09 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

48-52 °C

Boiling Point

288.7±32.0 ºC (760 Torr),

Flash Point

128.4±25.1 ºC,

SMILES

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CC(C)(C)OC(=O)N1C=C(C=N1)Br

InChI

InChI=1S/C8H11BrN2O2/c1-8(2,3)13-7(12)11-5-6(9)4-10-11/h4-5H,1-3H3

InChIKey

IQEFCRDQVLIADR-UHFFFAOYSA-N

LogP

2.4288000000000007

Topological Polar Surface Area

44.120000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

203

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

TS-03397
MFCD09999163
TERT-BUTYL 4-BROMOPYRAZOLE-1-CARBOXYLATE
AM20080093
AKOS015836919
J-003183
1H-Pyrazole-1-carboxylic acid, 4-bromo-, 1,1-dimethylethyl ester
1150271-23-0
EN300-7269363
A2352
AC-31248
tert-Butyl 4-Bromo-1H-pyrazole-1-carboxylate
DS-1323
1-Boc-4-bromopyrazole
DTXSID40671975
N-boc-4-bromopyrazole
tert-Butyl4-Bromo-1H-pyrazole-1-carboxylate
IQEFCRDQVLIADR-UHFFFAOYSA-N
SCHEMBL2549524
1-Boc-4-bromopyrazole, 97%
SY022220
CS-W003721
t-Butyl 4-bromo-1H-pyrazole-1-carboxylate
tert-Butyl 4-bromo-1H-pyrazole-1-carboxylate
4-Bromopyrazole-1-carboxylic acid tert-butyl ester
tert-butyl 4-bromopyrazole-1-carboxylate
tert-butyl 4-bromopyrazolecarboxylate
SBB054436
TRA0024451
FCH1327510
OR42171

MDL Number

MFCD09999163

Customs Code

2933199090

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl 4-bromo-1H-pyrazole-1-carboxylate (CAS: 1150271-23-0)?

2-Methyl-2-propanyl 4-bromo-1H-pyrazole-1-carboxylate (CAS: 1150271-23-0) is a crystalline solid with a molecular weight of approximately 276.04 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. This compound is reactive towards nucleophiles and can undergo electrophilic aromatic substitution reactions.

How is 2-Methyl-2-propanyl 4-bromo-1H-pyrazole-1-carboxylate (CAS: 1150271-23-0) typically synthesized?

2-Methyl-2-propanyl 4-bromo-1H-pyrazole-1-carboxylate (CAS: 1150271-23-0) is synthesized via a bromination reaction of 2-Methyl-2-propanyl 1H-pyrazole-1-carboxylate with bromine in the presence of a base like sodium hydroxide. The reaction is carried out in a suitable solvent such as acetonitrile, and the yield is typically around 75-85%.

What industries use 2-Methyl-2-propanyl 4-bromo-1H-pyrazole-1-carboxylate (CAS: 1150271-23-0)?

2-Methyl-2-propanyl 4-bromo-1H-pyrazole-1-carboxylate (CAS: 1150271-23-0) is used in the pharmaceutical industry for the synthesis of various bioactive compounds. It also finds applications in polymer chemistry as a monomer and in the development of sensors for detecting specific chemicals or gases.

What precautions should be taken when handling 2-Methyl-2-propanyl 4-bromo-1H-pyrazole-1-carboxylate (CAS: 1150271-23-0)?

When handling 2-Methyl-2-propanyl 4-bromo-1H-pyrazole-1-carboxylate (CAS: 1150271-23-0), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be stored in a dry, cool place away from heat sources. In case of spillage, the area should be ventilated, and the spill should be handled according to the safety data sheet (SDS) guidelines.