3-Chloro-4-(3-fluorobenzyloxy)nitrobenzene
- Product Name
- 3-Chloro-4-(3-fluorobenzyloxy)nitrobenzene
- CAS No.
- 443882-99-3
- Chemical Name
- 3-Chloro-4-(3-fluorobenzyloxy)nitrobenzene
- Synonyms
- oro-1-(3-fL;oxy)-4-nitrobenzene;2-Chloro-1-((3-fluorobenzyl);Lapatinib genotoxic impurity 2;2-Chloro-1-(3-fluoro-benzyloxy)-4-nitro-;3-Chloro-4-(3-fluorobenzyloxy)nitrobenzene;4-(3-Fluorobenzyloxy)-3-chloronitrobenzene;2-Chloro-4-nitrophenyl 3-fluorobenzyl ether;1-(3-fluorobenzyloxy)-2-chloro-4-nitrobenzene;3-Chloro-1-(3-fluorobenzyloxy)-4-nitrobenzene
- CBNumber
- CB01456987
- Molecular Formula
- C13H9ClFNO3
- Formula Weight
- 281.67
- MOL File
- 443882-99-3.mol
3-Chloro-4-(3-fluorobenzyloxy)nitrobenzene Property
- Melting point:
- 99.0 to 103.0 °C
- Boiling point:
- 400.5±35.0 °C(Predicted)
- Density
- 1.393±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- color
- White to Light yellow
- InChIKey
- SFTHVDYRPHJAND-UHFFFAOYSA-N
Safety
- HS Code
- 2909.30.6000
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
- C2875
- Product name
- 3-Chloro-4-(3-fluorobenzyloxy)nitrobenzene
- Purity
- >98.0%(GC)
- Packaging
- 1g
- Price
- $64
- Updated
- 2024/03/01
- Product number
- C2875
- Product name
- 3-Chloro-4-(3-fluorobenzyloxy)nitrobenzene
- Purity
- >98.0%(GC)
- Packaging
- 5g
- Price
- $320
- Updated
- 2024/03/01
- Product number
- C349270
- Product name
- 2-Chloro-1-(3-fluorobenzyloxy)-4-nitrobenzene
- Packaging
- 25g
- Price
- $305
- Updated
- 2021/12/16
- Product number
- FC53320
- Product name
- 2-Chloro-1-(3-fluorobenzyloxy)-4-nitrobenzene
- Packaging
- 500mg
- Price
- $335
- Updated
- 2021/12/16
- Product number
- B642
- Product name
- 2-Chloro-1-(3-fluorobenzyloxy)-4-nitrobenzene
- Packaging
- 100g
- Price
- $436
- Updated
- 2021/12/16
3-Chloro-4-(3-fluorobenzyloxy)nitrobenzene Chemical Properties,Usage,Production
Uses
2-?Chloro-?1-?(3-?fluorobenzyloxy)?-?4-?nitrobenzene is a reagent used in the synthesis of novel indole-2-carboxamide derivative as anti-inflammatory agents used in the treatment of sepsis. Also an intermediate of Niraparib (N481400), a novel oral poly(ADP-ribose)polymerase (PARP) inhibitor efficacious in BRCA-1 and -2 mutant tumors.
Synthesis
350-30-1
456-47-3
443882-99-3
Example 1a: General procedure for the synthesis of 3-chloro-4-(3-fluorobenzyloxy)nitrobenzene from 3-chloro-4-fluoronitrobenzene and 3-fluorobenzyl alcohol. First, 3-fluorobenzyl alcohol (0.30 kg, 2.39 mol, 1.05 eq.) was dissolved in acetonitrile (ACN, 6.0 L), followed by addition of potassium hydroxide flakes (85%, 0.16 kg, 1.25 eq.). The resulting suspension was heated to 35 °C. A solution of 3-chloro-4-fluoronitrobenzene (0.40 kg, 2.28 mol) dissolved in acetonitrile (ACN, 2.0 L) was slowly added in the temperature range of 35-40 °C. The reaction mixture was kept at this temperature for 18 hours. After completion of the reaction, the mixture was cooled to 20-25 °C and the reaction was quenched with water (8 L). The resulting slurry was filtered and the solid product was washed with water (2 x 0.40 L). Finally, the product was dried at 45 °C and 10 mmHg pressure for 25 h to give 0.59 kg of the target compound 3-chloro-4-(3-fluorobenzyloxy)nitrobenzene in 92% yield.
References
[1] Patent: US2006/270668, 2006, A1. Location in patent: Page/Page column 16
[2] Patent: US2006/270669, 2006, A1. Location in patent: Page/Page column 19-20
[3] Patent: WO2009/63054, 2009, A1. Location in patent: Page/Page column 37; 68
[4] Journal of Medicinal Chemistry, 2010, vol. 53, # 24, p. 8546 - 8555
[5] Patent: WO2011/2523, 2011, A1. Location in patent: Page/Page column 43
3-Chloro-4-(3-fluorobenzyloxy)nitrobenzene Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 3-Chloro-4-(3-fluorobenzyloxy)nitrobenzene manufacturers
- Product
- 3-Chloro-4-(3-fluorobenzyloxy)nitrobenzene 443882-99-3
- Price
- US $0.00-0.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 2000
- Release date
- 2025-07-09
- Product
- 3-Chloro-4-(3-fluorobenzyloxy)nitrobenzene 443882-99-3
- Price
- US $0.00/KG
- Min. Order
- 1KG
- Purity
- 98%min
- Supply Ability
- 30tons/month
- Release date
- 2023-01-31
- Product
- 3-Chloro-4- (3-fluorobenzyloxy) Nitrobenzene 443882-99-3
- Price
- US $10.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 20 ton
- Release date
- 2024-12-16