1-H-pyrazole-4-carboxylic acid,3-broMo,ethyl ester
- Product Name
- 1-H-pyrazole-4-carboxylic acid,3-broMo,ethyl ester
- CAS No.
- 1353100-91-0
- Chemical Name
- 1-H-pyrazole-4-carboxylic acid,3-broMo,ethyl ester
- Synonyms
- Ethyl 3-Bromopyrazole-4-carboxylate;3-Bromo-4-(ethoxycarbonyl)-1H-pyrazole;3-Bromo-1H-pyrazol-4-carboxylic acid ethyl ester;1-H-pyrazole-4-carboxylic acid,3-broMo,ethyl ester;3-broMo-1-H-pyrazole-4-carboxylic acid ethyl ester
- CBNumber
- CB42594189
- Molecular Formula
- C6H7BrN2O2
- Formula Weight
- 219.04
- MOL File
- 1353100-91-0.mol
1-H-pyrazole-4-carboxylic acid,3-broMo,ethyl ester Property
- Melting point:
- 85-88°
- Boiling point:
- 331.1±22.0 °C(Predicted)
- Density
- 1.664±0.06 g/cm3(Predicted)
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 8.58±0.50(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C6H7BrN2O2/c1-2-11-6(10)4-3-8-9-5(4)7/h3H,2H2,1H3,(H,8,9)
- InChIKey
- HMONTLMXUZERMC-UHFFFAOYSA-N
- SMILES
- N1C=C(C(OCC)=O)C(Br)=N1
Safety
- HS Code
- 2933199090
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.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- E901008
- Product name
- Ethyl3-Bromo-1H-pyrazole-4-carboxylate
- Packaging
- 50mg
- Price
- $45
- Updated
- 2021/12/16
- Product number
- OR307175
- Product name
- Ethyl3-bromo-1H-pyrazole-4-carboxylate
- Packaging
- 250mg
- Price
- $66
- Updated
- 2021/12/16
- Product number
- 4H23-9-13
- Product name
- Ethyl 3-bromo-1H-pyrazole-4-carboxylate
- Packaging
- 250mg
- Price
- $72
- Updated
- 2021/12/16
- Product number
- 221339
- Product name
- Ethyl 3-bromo-1H-pyrazole-4-carboxylate
- Packaging
- 250mg
- Price
- $122
- Updated
- 2021/12/16
- Product number
- OR307175
- Product name
- Ethyl3-bromo-1H-pyrazole-4-carboxylate
- Packaging
- 1g
- Price
- $140
- Updated
- 2021/12/16
1-H-pyrazole-4-carboxylic acid,3-broMo,ethyl ester Chemical Properties,Usage,Production
Uses
Ethyl 3-Bromo-1H-pyrazole-4-carboxylate can be used as plasma kallikrein inhibitors.
Synthesis
6994-25-8
1353100-91-0
The general procedure for the synthesis of ethyl 3-bromopyrazole-4-carboxylate from 3-amino-4-ethoxycarbonylpyrazole was as follows: to a solution of ethyl 3-amino-1H-pyrazole-4-carboxylate (5.0 g, 32 mmol) and copper(II) bromide (7.2 g, 32 mmol) in acetonitrile (65 mL) was slowly added isoamyl nitrite (12 mL, 86 mmol). The reaction mixture was heated to 50 °C and stirred overnight. Upon completion of the reaction, the mixture was cooled to room temperature and the reaction was quenched with 1N aqueous hydrochloric acid (150 mL). The mixture was extracted with ethyl acetate (3 x 100 mL). The organic phases were combined, washed with water, dried over anhydrous sodium sulfate, filtered and concentrated to afford ethyl 3-bromopyrazole-4-carboxylate as a brown oil, which was partially cured overnight under vacuum (7.1 g, 100%). The product was characterized by 1H NMR (400 MHz, CDCl3): δ 9.78 (br.s, 1H), 8.10 (br.s, 1H), 4.33 (q, J = 7.22 Hz, 2H), 1.36 (m, 3H).
References
[1] Patent: US2012/108619, 2012, A1. Location in patent: Page/Page column 26
[2] Patent: WO2012/9009, 2012, A2. Location in patent: Page/Page column 56
[3] Patent: WO2012/8999, 2012, A2. Location in patent: Page/Page column 75
[4] Journal of Organic Chemistry, 2012, vol. 77, # 22, p. 10050 - 10057
[5] Patent: WO2014/188211, 2014, A1. Location in patent: Page/Page column 78
1-H-pyrazole-4-carboxylic acid,3-broMo,ethyl ester Preparation Products And Raw materials
Raw materials
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View Lastest Price from 1-H-pyrazole-4-carboxylic acid,3-broMo,ethyl ester manufacturers
- Product
- 1-H-pyrazole-4-carboxylic acid,3-broMo,ethyl ester 1353100-91-0
- Price
- US $6.60/KG
- Min. Order
- 1KG
- Purity
- 97%-99%
- Supply Ability
- 1kg-1000kg
- Release date
- 2019-12-30