5-Fluoro-3-indazolecarboxylic acid
Uses- Product Name
- 5-Fluoro-3-indazolecarboxylic acid
- CAS No.
- 1077-96-9
- Chemical Name
- 5-Fluoro-3-indazolecarboxylic acid
- Synonyms
- 5-FLUORO-3-INDAZOLECARBOXYLIC ACID;5-FLUORO-INDAZOLE-3-CARBOXYLIC ACID;5-FLUORO-INDOZOLE-3-CARBOXYLIC ACID;5-Fuoro-1H-indazole-3-carboxylic acid;5-fluoro-1H-indazol-3-carboxylic acid;5-Fuloro-1H-indazole-3-carboxylic acid;5-FLUORO-1H-INDAZOLE-3-CARBOXYLIC ACID;1H-Indazole-3-carboxylic acid, 5-fluoro-;5-Fluoro-1H-indazole-3-carboxylic acid 95%;5-fluoro-1H-indazole-3-carboxylic acid - [F16425]
- CBNumber
- CB7285718
- Molecular Formula
- C8H5FN2O2
- Formula Weight
- 180.14
- MOL File
- 1077-96-9.mol
5-Fluoro-3-indazolecarboxylic acid Property
- Melting point:
- 299 °C
- Boiling point:
- 445.9±25.0 °C(Predicted)
- Density
- 1.610±0.06 g/cm3(Predicted)
- storage temp.
- 2-8°C
- pka
- 2.89±0.30(Predicted)
- Appearance
- Light yellow to yellow Solid
- InChI
- InChI=1S/C8H5FN2O2/c9-4-1-2-6-5(3-4)7(8(12)13)11-10-6/h1-3H,(H,10,11)(H,12,13)
- InChIKey
- XFHIMKNXBUKQNS-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=C(F)C=C2)C(C(O)=O)=N1
- CAS DataBase Reference
- 1077-96-9(CAS DataBase Reference)
Safety
- HS Code
- 2917399590
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.
N-Bromosuccinimide Price
- Product number
- F595453
- Product name
- 5-Fluoro-1H-indazole-3-carboxylicacid
- Packaging
- 500mg
- Price
- $105
- Updated
- 2021/12/16
- Product number
- X8857
- Product name
- 5-Fluoro-1H-indazole-3-carboxylicacid
- Packaging
- 250mg
- Price
- $97
- Updated
- 2021/12/16
- Product number
- PC448014
- Product name
- 5-Fluoro-1H-indazole-3-carboxylicacid
- Purity
- 95%
- Packaging
- 1g
- Price
- $110
- Updated
- 2021/12/16
- Product number
- PC448014
- Product name
- 5-Fluoro-1H-indazole-3-carboxylicacid
- Purity
- 95%
- Packaging
- 5g
- Price
- $330
- Updated
- 2021/12/16
- Product number
- 072253
- Product name
- 5-Fluoro-1H-indazole-3-carboxylic acid
- Purity
- 95+%
- Packaging
- 1g
- Price
- $416
- Updated
- 2021/12/16
5-Fluoro-3-indazolecarboxylic acid Chemical Properties,Usage,Production
Uses
5-Fluoroinazole-3-carboxylic acid is a pharmaceutical intermediate.
Chemical Properties
yellow powder
Synthesis Reference(s)
Journal of Heterocyclic Chemistry, 1, p. 239, 1964 DOI: 10.1002/jhet.5570010505
Synthesis
443-69-6
1077-96-9
The general procedure for the synthesis of 5-fluoroindazole-3-carboxylic acid from 5-fluoroindigo is as follows: first, sodium hydroxide (1.24 g, 0.031 mol, 1.03 eq.) was dissolved in water (19 mL) and heated to 50 °C, then 5-fluoroindigo (5 g, 0.03 mol, 1 eq.) was added. 5 minutes later, the resulting deep red solution was cooled to 0 °C, followed by the slow addition of a pre-cooled sodium nitrite (2.07 g, 0.03 mol, 1 eq.) solution in water (10 mL). Immediately thereafter, the cooled 95% sulfuric acid (3.12 mL, 0.06 mol, 1.95 eq.) water (48 mL) solution was added rapidly, controlling the rate of addition to ensure that the temperature did not exceed 4°C. A small amount of ether may be added at the appropriate time to minimize foaming during mixing. After the addition was complete, stirring was continued at less than 4°C for 1 hour. Subsequently, a 35% hydrochloric acid (24 mL) solution of pre-cooled stannous chloride (16.24 g, 0.072 mol, 2.4 eq.) was added and the mixture was stirred for 16 hours. After completion of the reaction, the brown solution was filtered and the resulting brown solid was washed with water to give a final light brown solid product (2.73 g, 51% yield). The NMR hydrogen spectral (MeOH-d4) data of the product were as follows: δH 7.25 (1H, td, J = 9.10 Hz and 2.14 Hz, ArH), 7.60 (1H, dd, J = 9.10 Hz and 4.28 Hz, ArH), 7.74 (1H, dd, J = 9.10 Hz and 2.10 Hz, ArH); LC-MS-EI showed the molecular ion peak m/z 183.1 (MH+, 100).
References
[1] Patent: WO2011/61469, 2011, A1. Location in patent: Page/Page column 34-35
[2] Patent: US2005/250808, 2005, A1. Location in patent: Page/Page column 39
[3] Patent: US2006/142247, 2006, A1. Location in patent: Page/Page column 39
[4] Patent: EP2565192, 2013, A1. Location in patent: Paragraph 0349
[5] Journal of Medicinal Chemistry, 2013, vol. 56, # 15, p. 6259 - 6272
5-Fluoro-3-indazolecarboxylic acid Preparation Products And Raw materials
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View Lastest Price from 5-Fluoro-3-indazolecarboxylic acid manufacturers
- Product
- 5-Fluoro-3-indazolecarboxylic acid 1077-96-9
- Price
- US $0.10/KG
- Min. Order
- 1KG
- Purity
- 98.0%
- Supply Ability
- 10
- Release date
- 2024-07-07
- Product
- 5-Fluoro-3-indazolecarboxylic acid 1077-96-9
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 98%
- Supply Ability
- 150KG
- Release date
- 2019-07-01