CAS No.755037-03-7,Regorafenib Suppliers

Products Categories

Pharmaceutical (229)
Organic Chemicals (30)
Others (14)
Reagent (7)
Materials (4)
Plant Extract (1)

Basic Information

Molecular Structure:
CAS No.:	755037-03-7
Name:	Regorafenib
Article Data:	30

Formula:	C₂₁H₁₅ClF₄N₄O₃
Molecular Weight:	482.822
Synonyms:	4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide;4-(4-(3-(4-Chloro-3-(trifluoromethyl)phenyl)ureido)-3-fluorophenoxy)-N-methylpicolinamide;
EINECS:	815-051-1
Density:	1.491 g/cm³
Melting Point:	206.0 to 210.0 °C
Boiling Point:	513.4 °C at 760 mmHg
Flash Point:	264.3 °C
Solubility:	DMSO
PSA:	92.35000
LogP:	6.22570

Synthetic route

: 757251-39-1
4-(4-amino-3-fluorophenoxy)pyridine-2-carboxylic acid methyl amide

: 42558-54-3
Methyl 4-methyl-3-oxopentanoate

: 320-51-4
4-chloro-3-trifluoromethyl-aniline

: 755037-03-7
regorafenib

Conditions

Conditions	Yield
With dmap In N,N-dimethyl-formamide at 140℃; for 4h; Temperature; Green chemistry;	96.8%

...Expand

: 757251-39-1
4-(4-amino-3-fluorophenoxy)pyridine-2-carboxylic acid methyl amide

: 868-84-8
S,S-dimethyl dithiocarbonate

: 320-51-4
4-chloro-3-trifluoromethyl-aniline

: 755037-03-7
regorafenib

Conditions

Conditions	Yield
With tetra(n-butyl)ammonium hydroxide In tetrahydrofuran at 35℃; for 1.33333h; Green chemistry;	96.2%

...Expand

: 757251-39-1
4-(4-amino-3-fluorophenoxy)pyridine-2-carboxylic acid methyl amide

: 327-78-6
4-chloro-3-(trifluoromethyl)phenyl isocyanate

: 755037-03-7
regorafenib

Conditions

Conditions	Yield
In ethyl acetate at 20℃; for 1.5h;	94.5%
In dichloromethane at 0 - 20℃; for 16h; Inert atmosphere;	90%
In dichloromethane for 24h;	87%

: 399-95-1
4-amino-3-fluorophenol

: 755037-03-7
regorafenib

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: Reflux 2.1: 1-methyl-pyrrolidin-2-one / 100 °C 2.2: 4.17 h / 100 °C 2.3: 0.17 h / 80 °C 3.1: toluene; tetrahydrofuran / 4.5 h / 20 °C 3.2: 2.25 h View Scheme
Multi-step reaction with 3 steps 1.1: cyclohexane / Reflux 2.1: 1-methyl-pyrrolidin-2-one / 100 °C 2.2: 3.67 h / 100 °C 2.3: 0.17 h / 80 °C 3.1: toluene; tetrahydrofuran / 4.5 h / 20 °C 3.2: 2.25 h View Scheme
Multi-step reaction with 3 steps 1.1: Reflux 2.1: 1-methyl-pyrrolidin-2-one / 100 °C 2.2: 5.5 h / 100 °C 2.3: 0.17 h / 80 °C 3.1: toluene; tetrahydrofuran / 4.5 h / 20 °C 3.2: 2.25 h View Scheme
Multi-step reaction with 2 steps 1.1: potassium tert-butylate / N,N-dimethyl acetamide / 0.42 h / 0 °C 1.2: 16 h / 100 °C 2.1: toluene / 72 h / 20 °C View Scheme
Multi-step reaction with 2 steps 1: dichloromethane / 6 h / Reflux 2: potassium tert-butylate; potassium carbonate / N,N-dimethyl-formamide / 3 h / 90 °C View Scheme

: 1338722-52-3
C12H16FNO

: 755037-03-7
regorafenib

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: 1-methyl-pyrrolidin-2-one / 100 °C 1.2: 4.17 h / 100 °C 1.3: 0.17 h / 80 °C 2.1: toluene; tetrahydrofuran / 4.5 h / 20 °C 2.2: 2.25 h View Scheme

: 1338722-53-4
C11H14FNO

: 755037-03-7
regorafenib

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: 1-methyl-pyrrolidin-2-one / 100 °C 1.2: 5.5 h / 100 °C 1.3: 0.17 h / 80 °C 2.1: toluene; tetrahydrofuran / 4.5 h / 20 °C 2.2: 2.25 h View Scheme

: 394-41-2
3-fluoro-4-nitrophenol

: 755037-03-7
regorafenib

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: hydrogen / palladium 10% on activated carbon / ethyl acetate / 4 h 2.1: potassium tert-butylate / N,N-dimethyl acetamide / 0.42 h / 0 °C 2.2: 16 h / 100 °C 3.1: toluene / 72 h / 20 °C View Scheme
Multi-step reaction with 3 steps 1: potassium carbonate / diethylene glycol dimethyl ether / 6 h / Reflux 2: hydrogen / methanol / 3 h / 20 °C / 1520.1 Torr / Autoclave 3: tetrahydrofuran / 5 h / 20 °C View Scheme
Multi-step reaction with 3 steps 1: potassium carbonate / N,N-dimethyl-formamide / 3 h / 110 °C / Inert atmosphere 2: hydrogen; 5%-palladium/activated carbon / ethyl acetate / 1125.11 Torr 3: dichloromethane / 3 h / 0 - 25 °C View Scheme

: 98-98-6
2-Picolinic acid

: 755037-03-7
regorafenib

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1.1: sodium bromide / chlorobenzene / 0.25 h / 50 °C 1.2: 23 h / 85 °C 2.1: water; toluene / 7 h / 20 °C 3.1: potassium tert-butylate / N,N-dimethyl-formamide / 0.5 h / 20 °C 3.2: 5 h / 100 °C 4.1: sulfuric acid; nitric acid / water / 1.5 h / -10 - 0 °C 5.1: ammonium chloride; iron; hydrogenchloride / water; ethanol / 0.25 h / Reflux 6.1: ethyl acetate / 1.5 h / 20 °C View Scheme
Multi-step reaction with 4 steps 1.1: thionyl chloride / N,N-dimethyl-formamide 2.1: sodium hydroxide / tetrahydrofuran / 3 h / -5 °C 3.1: potassium tert-butylate / dimethyl amine / 2 h / 20 °C / Inert atmosphere 3.2: 85 °C / Inert atmosphere 4.1: dichloromethane / 16 h / 0 - 20 °C / Inert atmosphere View Scheme
Multi-step reaction with 4 steps 1.1: thionyl chloride; sodium bromide / N,N-dimethyl-formamide / 30 h / 80 °C 2.1: sodium hydroxide / tetrahydrofuran / 3 h / -5 °C 3.1: potassium tert-butylate / dimethyl amine / 2 h / 20 °C / Inert atmosphere 3.2: 85 °C / Inert atmosphere 4.1: dichloromethane / 16 h / 0 - 20 °C / Inert atmosphere View Scheme
Multi-step reaction with 5 steps 1.1: N,N-dimethyl-formamide; thionyl chloride / 18 h / 70 °C / Inert atmosphere; Schlenk technique 2.1: tetrahydrofuran; methanol; water / 1 h / 0 - 10 °C / Inert atmosphere; Schlenk technique 3.1: potassium tert-butylate; potassium carbonate / N,N-dimethyl-formamide / 0.5 h / 0 °C / Inert atmosphere; Schlenk technique 3.2: 16 h / 110 °C / Inert atmosphere; Schlenk technique 4.1: sulfuric acid; nitric acid / water / 1 h / 0 °C / Inert atmosphere; Schlenk technique 4.2: 1 h / 80 °C / Inert atmosphere; Schlenk technique 5.1: dichloromethane; ethyl acetate / 18 h / 20 °C / Inert atmosphere; Schlenk technique View Scheme

: 4-chloro-2-pyridine carboxylic acid chloride hydrochloride

: 755037-03-7
regorafenib

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: water; toluene / 7 h / 20 °C 2.1: potassium tert-butylate / N,N-dimethyl-formamide / 0.5 h / 20 °C 2.2: 5 h / 100 °C 3.1: sulfuric acid; nitric acid / water / 1.5 h / -10 - 0 °C 4.1: ammonium chloride; iron; hydrogenchloride / water; ethanol / 0.25 h / Reflux 5.1: ethyl acetate / 1.5 h / 20 °C View Scheme
Multi-step reaction with 3 steps 1.1: tetrahydrofuran / 16.42 h / 0 - 20 °C / Inert atmosphere 2.1: potassium tert-butylate / N,N-dimethyl-formamide / 3.03 h / Inert atmosphere 2.2: 10 h / 90 °C / Inert atmosphere 3.1: dichloromethane / 24 h View Scheme
Multi-step reaction with 3 steps 1.1: sodium hydroxide / tetrahydrofuran / 3 h / -5 °C 2.1: potassium tert-butylate / dimethyl amine / 2 h / 20 °C / Inert atmosphere 2.2: 85 °C / Inert atmosphere 3.1: dichloromethane / 16 h / 0 - 20 °C / Inert atmosphere View Scheme
Multi-step reaction with 4 steps 1.1: tetrahydrofuran; methanol; water / 1 h / 0 - 10 °C / Inert atmosphere; Schlenk technique 2.1: potassium tert-butylate; potassium carbonate / N,N-dimethyl-formamide / 0.5 h / 0 °C / Inert atmosphere; Schlenk technique 2.2: 16 h / 110 °C / Inert atmosphere; Schlenk technique 3.1: sulfuric acid; nitric acid / water / 1 h / 0 °C / Inert atmosphere; Schlenk technique 3.2: 1 h / 80 °C / Inert atmosphere; Schlenk technique 4.1: dichloromethane; ethyl acetate / 18 h / 20 °C / Inert atmosphere; Schlenk technique View Scheme

: 220000-87-3
4-chloro-N-methylpicolinamide

: 755037-03-7
regorafenib

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: potassium tert-butylate / N,N-dimethyl-formamide / 0.5 h / 20 °C 1.2: 5 h / 100 °C 2.1: sulfuric acid; nitric acid / water / 1.5 h / -10 - 0 °C 3.1: ammonium chloride; iron; hydrogenchloride / water; ethanol / 0.25 h / Reflux 4.1: ethyl acetate / 1.5 h / 20 °C View Scheme
Multi-step reaction with 4 steps 1.1: potassium hydroxide / N,N-dimethyl-formamide / 0.5 h / 0 - 50 °C 1.2: 100 °C 2.1: sulfuric acid; nitric acid / 1.5 h / -10 - 0 °C 3.1: iron; ammonium chloride; hydrogenchloride / water; ethanol / 1 h / Reflux 4.1: ethyl acetate / 0.5 h / 20 °C View Scheme
Multi-step reaction with 2 steps 1.1: potassium tert-butylate / N,N-dimethyl-formamide / 3.03 h / Inert atmosphere 1.2: 10 h / 90 °C / Inert atmosphere 2.1: dichloromethane / 24 h View Scheme

Raw Materials

394-41-2

327-78-6

757251-39-1

399-95-1

Downstream Products

835621-07-3

Total:194 Page 1 of 6 1 2 3 4 5 6 Next>>

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 755037-03-7

Specification

The 4-[4-({[4-Chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide with CAS registry number of 755037-03-7 is also called Regorafenib. Its systematic name is called 4-(4-(((4-chloro-3-(trifluoromethyl)phenyl)carbamoyl}amino)-3-fluorophenoxy)-N-methylpyridine-2-carboxamide.

Physical properties about this chemical are: (1) ACD/LogP: 4.49; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 4.48; (4) ACD/LogD (pH 7.4): 4.48; (5) ACD/BCF (pH 5.5): 1507.8; (6) ACD/BCF (pH 7.4): 1506.05; (7) ACD/KOC (pH 5.5): 6556.04; (8) ACD/KOC (pH 7.4): 6548.43; (9) #H bond acceptors: 7; (10) #H bond donors: 3; (11) #Freely Rotating Bonds: 5; (12) Polar Surface Area: 65.98 Å²; (13) Index of Refraction: 1.615; (14) Molar Refractivity: 113.09 cm³; (15) Molar Volume: 323.6 cm³; (16) Polarizability: 44.83×10^-24cm³; (17) Surface Tension: 50.7 dyne/cm ; (18) Density: 1.491 g/cm³; (19) Flash Point: 264.3 °C ; (20) Enthalpy of Vaporization: 78.48 kJ/mol ; (21) Boiling Point: 513.4 °C at 760 mmHg; (22) Vapour Pressure: 1.19E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) InChI: InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32).

Premium Related Products