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
SynQuest Laboratories
Product number
4H21-1-Y0
Product name
4-Methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzoic acid
Packaging
1g
Price
$133
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
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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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4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid Suppliers

China 253 India 17 United Kingdom 1 United States 10 Global 281
Chongqing Bioland Pharmaceuticat Ltd.
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023-68509220 15023021698;
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sales1@biolandpharm.com
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Yangzhou QinYuan Pharmaceutical Co., Ltd.
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Chongqing Xing'enlian Pharmaceutical Co., Ltd.
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13996273682 13996273682
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Chembest Research Laboratories Limited
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+86-21-20908456
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021-58180499
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sales@BioChemBest.com
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Energy Chemical
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021-021-58432009 400-005-6266
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021-58436166
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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

641569-94-0, 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acidRelated Search:

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