4-Pyrimidinamine, 2,5-dichloro-N-[2-[(1-methylethyl)sulfonyl]phenyl]-
- Product Name
- 4-Pyrimidinamine, 2,5-dichloro-N-[2-[(1-methylethyl)sulfonyl]phenyl]-
- CAS No.
- 761440-16-8
- Chemical Name
- 4-Pyrimidinamine, 2,5-dichloro-N-[2-[(1-methylethyl)sulfonyl]phenyl]-
- Synonyms
- 2,5-dichloro-N-(2-(isopropylsulfonyl)phenyl)pyrimidin-4-amine;OROPYRIMIDIN-4-YL;Ceritinib Dichloro Impurity;-[(1-methylethyl)sulfonyl]phenyl;2,5-dichloro-N-(2-(isopropylsulfonyl)phenyl);2,5-dichloro-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine;2,5-dichloro-N-[2-(propane-1-sulfonyl)phenyl]pyriMidin-4-aMine;2,5-dichloro-N-[2-(propane-2-sulfonyl)phenyl]pyrimidin-4-amine;4-Pyrimidinamine, 2,5-dichloro-N-[2-[(1-methylethyl)sulfonyl]p;2,5-Dichloro-N-[2-[(1-methyl)sulfonyl]phenyl]-4-pyrimidinamine
- CBNumber
- CB52473821
- Molecular Formula
- C13H13Cl2N3O2S
- Formula Weight
- 346.23
- MOL File
- 761440-16-8.mol
4-Pyrimidinamine, 2,5-dichloro-N-[2-[(1-methylethyl)sulfonyl]phenyl]- Property
- Melting point:
- 149.0 to 153.0 °C
- Boiling point:
- 538℃
- Density
- 1.436
- Flash point:
- 279℃
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- -0.03±0.10(Predicted)
- color
- White to Light yellow
- InChI
- InChI=1S/C13H13Cl2N3O2S/c1-8(2)21(19,20)11-6-4-3-5-10(11)17-12-9(14)7-16-13(15)18-12/h3-8H,1-2H3,(H,16,17,18)
- InChIKey
- WWVLDJAVSQZSKO-UHFFFAOYSA-N
- SMILES
- C1(Cl)=NC=C(Cl)C(NC2=CC=CC=C2S(C(C)C)(=O)=O)=N1
Safety
- HS Code
- 2933.59.8000
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P312Call a POISON CENTER or doctor/physician if you feel unwell.
P321Specific treatment (see … on this label).
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P337+P313IF eye irritation persists: Get medical advice/attention.
P362Take off contaminated clothing and wash before reuse.
P403+P233Store in a well-ventilated place. Keep container tightly closed.
P405Store locked up.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- D5068
- Product name
- 2,5-Dichloro-N-[2-(isopropylsulfonyl)phenyl]pyrimidin-4-amine
- Purity
- >97.0%(HPLC)(N)
- Packaging
- 200mg
- Price
- $73
- Updated
- 2025/07/31
- Product number
- D5068
- Product name
- 2,5-Dichloro-N-[2-(isopropylsulfonyl)phenyl]pyrimidin-4-amine
- Purity
- >97.0%(HPLC)(N)
- Packaging
- 1g
- Price
- $216
- Updated
- 2025/07/31
- Product number
- D434885
- Product name
- 2,5-Dichloro-N-[2-(isopropylsulfonyl)phenyl]pyrimidin-4-amine
- Packaging
- 1g
- Price
- $580
- Updated
- 2021/12/16
- Product number
- 096607
- Product name
- 2,5-Dichloro-N-(2-(isopropylsulfonyl)-phenyl)pyrimidin-4-amine
- Purity
- 95+%
- Packaging
- 250mg
- Price
- $439
- Updated
- 2021/12/16
- Product number
- HCH0362853
- Product name
- 2,5-DICHLORO-N-(2-(ISOPROPYLSULFONYL)PHENYL)PYRIMIDIN-4-AMINE
- Purity
- 95.00%
- Packaging
- 5MG
- Price
- $495.5
- Updated
- 2021/12/16
4-Pyrimidinamine, 2,5-dichloro-N-[2-[(1-methylethyl)sulfonyl]phenyl]- Chemical Properties,Usage,Production
Uses
2,5-Dichloro-N-[2-(isopropylsulfonyl)phenyl]pyrimidin-4-amine is used as a reagent in the synthesis of potent and selective anaplastic lymphoma kinase (ALK-5) inhibitors, used as an anti-tumor treatment.
Synthesis
76697-50-2
5750-76-5
761440-16-8
To a flask containing 40 g (0.200 mol) 2-(isopropylsulfonyl)aniline (Formula-XI) in 400 mL of toluene solution under nitrogen protection were added 49.7 g (0.27 mol) 2,4,5-trichloropyrimidine (Formula-XII), 81.7 g (0.25 mol) cesium carbonate, 4.5 g (0.02 mol) palladium(II) acetate, and 13.1 g (0.05 mol) triphenylphosphine. The reaction mixture was heated to reflux under nitrogen atmosphere and maintained for 4 hours. The reaction was monitored by thin layer chromatography (TLC) to confirm that 2-(isopropylsulfonyl)aniline was completely consumed. Upon completion of the reaction, the mixture was cooled to 25-30 °C and filtered. The solids were washed with 400 mL of ethyl acetate. The filtrate and washings were combined and the crude product was obtained by removing toluene and ethyl acetate by distillation under reduced pressure at 60 °C. The crude product was purified by column chromatography to afford 45.6 g of 2,5-dichloro-N-(2-(isopropylsulfonyl)phenyl)pyrimidin-4-amine (formula-XIII) as a light yellow solid in 65.6% (theoretical) yield.
References
[1] European Journal of Medicinal Chemistry, 2017, vol. 136, p. 497 - 510
[2] Patent: WO2017/158619, 2017, A1. Location in patent: Page/Page column 19
[3] Patent: EP2990405, 2016, A1. Location in patent: Paragraph 0097; 0120; 0121
[4] Journal of Medicinal Chemistry, 2013, vol. 56, # 14, p. 5675 - 5690
[5] European Journal of Medicinal Chemistry, 2016, vol. 123, p. 80 - 89
4-Pyrimidinamine, 2,5-dichloro-N-[2-[(1-methylethyl)sulfonyl]phenyl]- Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 4-Pyrimidinamine, 2,5-dichloro-N-[2-[(1-methylethyl)sulfonyl]phenyl]- manufacturers
- Product
- 2,5-Dichloro-N-[2-[(1-methylethyl)sulfonyl]phenyl]-4-pyrimidinamine 761440-16-8
- Price
- US $0.00-0.00/kg
- Min. Order
- 1kg
- Purity
- 98%
- Supply Ability
- 1Ton
- Release date
- 2022-09-30
- Product
- 2,5-Dichloro-N-(2-(isopropylsulfonyl)phenyl)pyrimidin-4-amine 761440-16-8
- Price
- US $0.00-0.00/kg
- Min. Order
- 0.1kg
- Purity
- 99%(HPLC)
- Supply Ability
- 2000kg/Year
- Release date
- 2023-12-14
- Product
- 2,5-Dichloro-N-[2-[(1-methylethyl)sulfonyl]phenyl]-4-pyrimidinamine 761440-16-8
- Price
- US $15.00-10.00/KG
- Min. Order
- 1KG
- Purity
- 99%+ HPLC
- Supply Ability
- Monthly supply of 1 ton
- Release date
- 2021-07-10