tert-Butyl 4-iodopyrazole-1-carboxylate

Product Name: tert-Butyl 4-iodopyrazole-1-carboxylate
CAS No.: 121669-70-3
Chemical Name: tert-Butyl 4-iodopyrazole-1-carboxylate
Synonyms: 1-BOC-4-IODOPYRAZOLE;1-Boc-4-iodopyrazole 95%;t-Butyl4-iodopyrazole-1-carboxylate;1-Boc-4-iodopyrazole, CAS 121669-70-3;TERT-BUTYL 4-IODOPYRAZOLE-1-CARBOXYLATE;T-BUTYL 4-IODO-1H-PYRAZOLE-1-CARBOXYLATE;ert-Butyl4-iodo-1H-pyrazole-1-carboxylate;tert-Butyl-4-iodo-1H-pyrazole-1-carboxylate;3-tert-butyl-4-iodo-1H-pyrazole-1-carboxylate;4-iodo-1-pyrazolecarboxylic acid tert-butyl ester
CBNumber: CB3664975
Molecular Formula: C8H11IN2O2
Formula Weight: 294.09
MOL File: 121669-70-3.mol

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tert-Butyl 4-iodopyrazole-1-carboxylate Property

Melting point:: 67-70°C
Boiling point:: 312.0±34.0 °C(Predicted)
Density: 1.70±0.1 g/cm3(Predicted)
storage temp.: 2-8°C(protect from light)
pka: -3.01±0.12(Predicted)
Appearance: White to off-white Solid
InChI: InChI=1S/C8H11IN2O2/c1-8(2,3)13-7(12)11-5-6(9)4-10-11/h4-5H,1-3H3
InChIKey: WRCRIGRVTPLDDD-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)C=C(I)C=N1

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Safety

Hazard Codes: Xn
Risk Statements: 36/37/38-22
Safety Statements: 26-36/37/39
HS Code: 2933992000

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

TRC

Product number: B693063
Product name: t-Butyl4-iodopyrazole-1-carboxylate
Packaging: 500mg
Price: $65
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FB149553
Product name: tert-Butyl4-iodopyrazole-1-carboxylate
Packaging: 1g
Price: $87
Updated: 2021/12/16

AK Scientific

Product number: AMTH176
Product name: tert-Butyl4-iodo-1H-pyrazole-1-carboxylate
Packaging: 1g
Price: $20
Updated: 2021/12/16

SynQuest Laboratories

Product number: 4H51-H-11
Product name: tert-Butyl 4-iodo-1H-pyrazole-1-carboxylate
Packaging: 1g
Price: $96
Updated: 2021/12/16

Matrix Scientific

Product number: 101954
Product name: tert-Butyl 4-iodo-1H-pyrazole-1-carboxylate
Purity: 98%
Packaging: 5g
Price: $98
Updated: 2021/12/16

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tert-Butyl 4-iodopyrazole-1-carboxylate Chemical Properties,Usage,Production

Synthesis

3469-69-0

24424-99-5

121669-70-3

At room temperature, 4-iodopyrazole (20 mmol) was dissolved in THF (60 mL) and Et3N (30 mmol) and di-tert-butyl dicarbonate (Boc) 2O (22 mmol) were added sequentially. After 2 hours of reaction, N-Boc-4-iodopyrazole (5.88 g, 100% yield) was obtained. Subsequently, N-Boc-4-iodopyrazole was dissolved in THF (100 mL) under nitrogen protection, Pd(Ph3P)4 (1.1 g, 1 mmol) and hexamethyldistannane (20 mmol) were added, and the reaction was carried out at 78 °C overnight. After completion of the reaction, 10% KF aqueous solution was added, stirred for 30 min and filtered through a diatomaceous earth pad. The filtrate was extracted with EtOAc, the organic layer was washed with water and dried over MgSO4. After filtration and concentration, it was purified by column chromatography to give 3-trimethylstannopyrazole derivative (5 g, 75% yield) as a white solid.

References

[1] Patent: EP946508, 2009, B1. Location in patent: Page/Page column 58
[2] Patent: WO2012/123745, 2012, A1. Location in patent: Page/Page column 64
[3] Angewandte Chemie - International Edition, 2013, vol. 52, # 32, p. 8290 - 8294
[4] Angew. Chem., 2013, vol. 125, # 32, p. 8448 - 8452,5
[5] Journal of Medicinal Chemistry, 2013, vol. 56, # 24, p. 10045 - 10065

tert-Butyl 4-iodopyrazole-1-carboxylate Preparation Products And Raw materials

Raw materials

Preparation Products

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tert-Butyl 4-iodopyrazole-1-carboxylate Suppliers

China 92 Germany 2 India 1 Japan 1 United Kingdom 2 United States 22 Global 120

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View Lastest Price from tert-Butyl 4-iodopyrazole-1-carboxylate manufacturers

Career Henan Chemical Co

Product: tert-Butyl 4-iodopyrazole-1-carboxylate 121669-70-3
Price: US $1.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 200kg
Release date: 2019-12-26

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1-Boc-4-iodopyrazole, CAS 121669-70-3

121669-70-3

C8H11ONO2

C8H11IN2O2

Building Blocks

C7 to C8

Chemical Synthesis

Halogenated Heterocycles

Heterocyclic Building Blocks

Pyrazoles