ChemicalBook > CAS DataBase List > 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid
4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid
- Product Name
- 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid
- CAS No.
- 641569-94-0
- Chemical Name
- 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid
- Synonyms
- -3-((4-(pyridin-3-yL;Nilotinib Impurity01;Nilotinib EP Impurity D;Nilotinib Intemediate 2;Nilotinib EP Impurity D/B;4-Methyl-3-((4-(pyridin-3-yl);Nilotinib Carboxylic Acid Impurity;Nilotinib Hydrochloride Monohydrate Impurity D;Nilotinib Impurity 6 (Nilotinib EP Impurity D);Nilotinib Hydrochloride Monohydrate EP Impurity D
- CBNumber
- CB61503982
- Molecular Formula
- C17H14N4O2
- Formula Weight
- 306.32
- MOL File
- 641569-94-0.mol
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4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid Property
- Melting point:
- >257oC (dec.)
- Boiling point:
- 587.9±60.0 °C(Predicted)
- Density
- 1.336
- storage temp.
- under inert gas (nitrogen or Argon) at 2–8 °C
- solubility
- DMSO (Slightly), Methanol (Slightly, Heated)
- pka
- 4.35±0.10(Predicted)
- form
- Solid
- color
- Pale Beige
- Stability:
- Hygroscopic
- InChI
- InChI=1S/C17H14N4O2/c1-11-4-5-12(16(22)23)9-15(11)21-17-19-8-6-14(20-17)13-3-2-7-18-10-13/h2-10H,1H3,(H,22,23)(H,19,20,21)
- InChIKey
- LDLZPHLSVKGFSC-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC=C(C)C(NC2=NC=CC(C3=CC=CN=C3)=N2)=C1
- CAS DataBase Reference
- 641569-94-0(CAS DataBase Reference)
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Safety
- HS Code
- 2933599590
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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.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
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N-Bromosuccinimide Price
TRC
- Product number
- N465305
- Product name
- 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoicacid
- Packaging
- 5g
- Price
- $275
- Updated
- 2021/12/16
Apolloscientific
- Product number
- OR16087
- Product name
- 4-Methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzoicacid
- Packaging
- 250mg
- Price
- $15
- Updated
- 2021/12/16
Apolloscientific
- Product number
- OR16087
- Product name
- 4-Methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzoicacid
- Packaging
- 1g
- Price
- $19
- Updated
- 2021/12/16
AK Scientific
- Product number
- J11466
- Product name
- NilotinibImpurity20
- Packaging
- 25mg
- Price
- $39
- Updated
- 2021/12/16
SynQuest Laboratories
- Product number
- 4H21-1-Y0
- Product name
- 4-Methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzoic acid
- Packaging
- 250mg
- Price
- $77
- Updated
- 2021/12/16
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4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid Chemical Properties,Usage,Production
Chemical Properties
4-Methyl-3-[[4-(3-pyridyl)-2-pyrimidinyl]amino]benzoic acid is a yellow-white solid with a certain solubility in methanol and dimethyl sulfoxide.
Uses
4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid is used in the preparation of (pyridinyl)-N-[(triazolyl)phenyl]pyrimidinamine derivatives and (pyridinyl)-N-[oxadiazolyl)phenyl]pyrimidinamine derivatives, and can be used in the detection of their activity as antileukemia agents (neoplastic stem cell leukemia). 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid is also a Nilotinib (N465300) intermediate, which might be useful in treatment of chronic myelogenous leukemia.
Synthesis
3- [(Aminoiminomethyl)amino] -4-methyl-benzoic acid methyl ester mononitrate (10 g),3-(Dimethylamino)-1-(pyridine-3-yl)prop-2-en-1-one (7.3 g), sodium hydroxide (1.7 g) was added to 1-butanol (100 mL) in a round bottom flask under nitrogen atmosphere. The reaction mass was heated to reflux temperature and stirred for 12 hours. Then the reaction mass was cooled to 25-35°C, and iN sodium hydroxide solution (1.5 g in 37 mL of DM water) was added to it throughout 20 mm. The reaction mass was heated to reflux temperature (120-125°C) and then cooled to 25-35°C. Hydrochloric acid was added to the reaction mass at 25-35°C and stirred for an hour. The material formed was filtered, washed with DM water and then dried under vacuum at 50-55°C to provide 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid (8.7 g).
References
[1] Patent: WO2015/87343, 2015, A2. Location in patent: Page/Page column 15
4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid manufacturers
Shandong Jihui Chemical Co., Ltd.
- Product
- 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid 641569-94-0
- Price
- US $0.00-0.00/kg
- Min. Order
- 1kg
- Purity
- Purity: 99%
- Supply Ability
- 500tons
- Release date
- 2025-07-21
Hebei Zhuanglai Chemical Trading Co Ltd
- Product
- 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid 641569-94-0
- Price
- US $150.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 500kg
- Release date
- 2024-11-13
Nanjing Fred Technology Co., Ltd
- Product
- 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid 641569-94-0
- Price
- US $0.00-0.00/kg
- Min. Order
- 1kg
- Purity
- 98%
- Supply Ability
- 1 ton
- Release date
- 2023-12-20
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