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5-(2-Fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1H,3H)-pyrimidinedione is a complex organic compound with a unique molecular structure. It is characterized by the presence of fluorine and trifluoromethyl groups, which contribute to its chemical properties and potential applications in various fields.

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  • 5-(2-Fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1H,3H)-pyrimidinedione

    Cas No: 1150560-59-0

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  • 5-(2-Fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1H,3H)-pyrimidinedione

    Cas No: 1150560-59-0

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  • 5-(2-Fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1H,3H)-pyrimidinedione/ LIDE PHARMA- Factory supply / Best price

    Cas No: 1150560-59-0

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  • 1150560-59-0 Structure
  • Basic information

    1. Product Name: 5-(2-Fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1H,3H)-pyrimidinedione
    2. Synonyms: 5-(2-Fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1H,3H)-pyrimidinedione;elagolix intermediate 6;5-(2-fluoro-3-methoxyphenyl)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-6-methylpyrimidine-2,4(1H,3H)-dione;Eelagolix-1;Eelagolix int1;Eelagolix intermediate;EOS-61868
    3. CAS NO:1150560-59-0
    4. Molecular Formula: C20H15F5N2O3
    5. Molecular Weight: 426.336716
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1150560-59-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.401±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 8.61±0.40(Predicted)
    10. CAS DataBase Reference: 5-(2-Fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1H,3H)-pyrimidinedione(CAS DataBase Reference)
    11. NIST Chemistry Reference: 5-(2-Fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1H,3H)-pyrimidinedione(1150560-59-0)
    12. EPA Substance Registry System: 5-(2-Fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1H,3H)-pyrimidinedione(1150560-59-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 1150560-59-0(Hazardous Substances Data)

1150560-59-0 Usage

Uses

Used in Organic Synthesis:
5-(2-Fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1H,3H)-pyrimidinedione is used as an intermediate in organic synthesis. Its unique structure allows it to be a valuable building block for the creation of more complex molecules, which can be utilized in various industries, including pharmaceuticals and materials science.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 5-(2-Fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1H,3H)-pyrimidinedione serves as an intermediate in the synthesis of Elagolix, a gonadotropin-releasing hormone antagonist (GnRH). Elagolix is used in the treatment of endometriosis, a painful disorder that affects the uterus. The compound's role in the synthesis of Elagolix highlights its importance in the development of therapeutic agents for various medical conditions.
Used in Laboratory Research and Development:
5-(2-Fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1H,3H)-pyrimidinedione is also utilized in laboratory research and development processes. Its unique chemical properties make it a valuable tool for scientists and researchers working on the discovery and development of new drugs and materials. The compound's versatility in organic synthesis and its potential applications in the pharmaceutical industry make it an essential component in the research and development of novel therapeutic agents and other advanced materials.

Synthesis

To a reactor was charged l-(2-fluoro-6-trifluoromethyl-benzyl)-5-iodo-6-methyl- lH-pyrimidine-2,4-dione Ib (5.0 kg), 2-fluoro-3-methoxyphenylboronic acid (2.58 kg), and acetone (5.5 L). The mixture was agitated and a potassium hydroxide/water solution (2.658 kg/19.0 L) was charged. The reactor contents were degassed for 30-60 min, then the internal temperature was adjusted to 40 0C. l,l-(bis-di-t-butylphosphino)ferrocene palladium dichloride (11.4 g) was added to the reactor and the contents mixed with jacket temperature set to 45 0C until the reaction was complete (2.5 hr). The reaction mixture was cooled to 20-30 0C. Celite (1.25 kg) was charged to the reactor and stirred for more than one hour and the mixture was filtered through a Celite pad (0.51 kg). The reactor and Celite cake were washed with acetone/water/KOH (2.6 L/7.5 L/0.38 kg). The filtered solutions were passed through a line filter and added over a period of 1-1.5 hr to a mixture of THF/AcOH/Water (15.0 L/7.53 L/5.0 L) maintained at 62 0C. The reactor contents were cooled to 20 0C over 2-3 hr. The mixture was filtered and the cake washed with 60:40 water/MeOH (2 x 12.6 L) followed by methanol (2 x 16 L). The solid was dried in a vacuum oven at 65 0C for 18 hr to provide 5-(2-fluoro-3-methoxy- phenyl)-l-(2-fluoro-6-trifluoromethyl-benzyl)-6-methyl-lH-pyrimidine-2,4-dione Ic (4.312 kg, 87 % molar yield) as an off-white solid. LCMS (ESI) m/z 427.1 (MH+). If necessary, the material may be solubilized, re-treated with Celite, and crystallized as above to increase purity.

Check Digit Verification of cas no

The CAS Registry Mumber 1150560-59-0 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,1,5,0,5,6 and 0 respectively; the second part has 2 digits, 5 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 1150560-59:
(9*1)+(8*1)+(7*5)+(6*0)+(5*5)+(4*6)+(3*0)+(2*5)+(1*9)=120
120 % 10 = 0
So 1150560-59-0 is a valid CAS Registry Number.

1150560-59-0Relevant articles and documents

PROCESS FOR PREPARING ELAGOLIX SODIUM AND INTERMEDIATES THEREOF

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Paragraph 0119; 0120, (2021/03/19)

The present invention provides improved processes for the preparation of elagolix and intermediates thereof. The intermediate of formula VII is achieved by a coupling reaction of a compound of formula V and a N-benzylidene protected compound of formula IV

AN IMPROVED PROCESS FOR THE PREPARATION OF ELAGOLIX SODIUM

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Page/Page column 13; 18; 19-20, (2021/04/10)

An improved process for the preparation of Elagolix Sodium having the structural formula (I). The present invention relates to highly pure compound of formula (VI) as a solid which is useful in the preparation of Elagolix sodium. The present invention pro

Elagolix Sodium Compositions and Processes

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Paragraph 0429, (2020/02/13)

The present invention relates to compositions of elagolix sodium, and process and intermediates for the preparation thereof.

IMPROVED PROCESS FOR THE PREPARATION OF ELAGOLIX AND ITS INTERMEDIATES

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Paragraph 25-26, (2020/12/11)

The present invention provides an improved process for the preparation of Elagolix sodium of formula (I) and its intermediates. The present invention also provides a compounds of formula (V) and (VI), (X), (Xa) and (Xb). The present invention further prov

Synthesis method of elagolix intermediate

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, (2020/02/17)

The invention relates to a synthesis method of an elagolix intermediate. Specifically, the invention provides a synthesis method of an elagolix intermediate compound X and an elagolix intermediate compound I. According to the method, 2-fluoro-3-methoxy-phenylacetic acid is used as a raw material, and the steps of cyclization, hydrolysis, amino protection, condensation, Mitsunobu reaction and the like are carried out in sequence, so that the elagolix intermediate compound X and the elagolix intermediate compound I are obtained. The method has the advantages of cheap and easily available reagents, high conversion rate, simple operation and low process cost, and is suitable for industrialization.

Method for preparing elagolix intermediate

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, (2020/01/25)

The invention discloses a method for preparing elagolix intermediate, which is characterized in that it is prepared according to the following steps: 1) subjecting 2-fluorine-3-methoxybromobenzene andethyl acetoacetate to coupling reaction under the action of copper catalyst and L-proline to obtain a compound I, 2) subjecting the compound I and urea to coupling cyclization reaction in the presence of p-toluenesulfonic acid to obtain a compound II, wherein the molar ratio of p-toluenesulfonic acid to compound I is 0.05-0.1:1, 3) reacting that compound II with 2-fluorine-6-trifluoromethyl benzyl bromide to obtain a product. The coupling cyclization reaction is easy, the yield is high, and the consumption of raw materials is low.

PROCESSES TO PRODUCE ELAGOLIX

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Page/Page column 14, (2019/06/23)

The present invention relates to a scalable process for the making of elagolix, its salts and the process of intermediate compounds.

Method for preparing agomelatine intermediate (by machine translation)

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, (2019/12/09)

The invention relates to a method for preparing an intermediate of agomelatine. The method is simple and convenient to E8 operate, mild E8 in condition and very suitable for industrial production C. (by machine translation)

Method for preparing intermediate of elagolix

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, (2019/12/09)

The invention relates to a method for preparing an intermediate of elagolix. In particular, the invention discloses a method for preparing a key intermediate compound E8 of elagolix, and compounds such as a compound E4 for preparing the intermediate compound E8. The method is simple and convenient in operation, mild in condition and very applicable to industrial production.

Preparation method of gonadotropin releasing hormone antagonist intermediate and sodium antagonist

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, (2019/11/20)

The invention discloses a preparation method of a gonadotropin releasing hormone antagonist intermediate and sodium antagonist. The preparation method comprises the steps: performing a reaction on a compound 1 and active zinc in a non-protic solvent so as to obtain an organic zinc reagent, then performing a Negishi coupling reaction so as to obtain the target intermediate, and further performing synthesis so as to obtain the gonadotropin releasing hormone antagonist sodium. The preparation method has mild reaction conditions, simple operation and few side reactions, and the risks of productionquality for preparation of GnRHR drugs are reduced; the intermediate compound can be directly prepared by using a one-pot method, the intermediate has easy separation and purification, the operationis simple, the reproducibility is good, and the product purity and yield are higher than the prior art; and meanwhile, the raw materials have safety and low cost, and are environmentally friendly, andcontrol on the cost and protection of the environment are facilitated.

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