1-(2-Fluoro-6-(trifluoromethyl)benzyl)-6-methylpyrimidine-2,4(1H,3H)-dione

Product Name: 1-(2-Fluoro-6-(trifluoromethyl)benzyl)-6-methylpyrimidine-2,4(1H,3H)-dione
CAS No.: 830346-47-9
Chemical Name: 1-(2-Fluoro-6-(trifluoromethyl)benzyl)-6-methylpyrimidine-2,4(1H,3H)-dione
Synonyms: 1-[2-Fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimidine-2,4(1H,3H)-dione;1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methyl-2,4(1H,3H)-pyrimidinedione;Elagolix Impurity 27;elagolix intermediate;elagolix intermediate 4;Elagolix Sodium Intermediate;4-fluoro-.alpha.-(1-methylethyl)-, (.alpha.S)-;1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimi;1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimid;1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimidine-2,...
CBNumber: CB42552431
Molecular Formula: C13H10F4N2O2
Formula Weight: 302.22
MOL File: 830346-47-9.mol

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1-(2-Fluoro-6-(trifluoromethyl)benzyl)-6-methylpyrimidine-2,4(1H,3H)-dione Property

Density: 1.413±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 9.49±0.40(Predicted)
Appearance: White to off-white Solid
InChI: InChI=1S/C13H10F4N2O2/c1-7-5-11(20)18-12(21)19(7)6-8-9(13(15,16)17)3-2-4-10(8)14/h2-5H,6H2,1H3,(H,18,20,21)
InChIKey: IJRKKZXPXBTHER-UHFFFAOYSA-N
SMILES: C1(=O)N(CC2=C(C(F)(F)F)C=CC=C2F)C(C)=CC(=O)N1

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

AK Scientific

Product number: 8045BB
Product name: 1-(2-Fluoro-6-(trifluoromethyl)benzyl)-6-methylpyrimidine-2,4(1H,3H)-dione
Packaging: 1g
Price: $181
Updated: 2021/12/16

Crysdot

Product number: CD11050115
Product name: 1-(2-Fluoro-6-(trifluoromethyl)benzyl)-6-methylpyrimidine-2,4(1H,3H)-dione
Purity: 95+%
Packaging: 250mg
Price: $230
Updated: 2021/12/16

Ambeed

Product number: A210259
Product name: 1-(2-Fluoro-6-(trifluoromethyl)benzyl)-6-methylpyrimidine-2,4(1H,3H)-dione
Purity: 95%
Packaging: 5g
Price: $306
Updated: 2021/12/16

Crysdot

Product number: CD11050115
Product name: 1-(2-Fluoro-6-(trifluoromethyl)benzyl)-6-methylpyrimidine-2,4(1H,3H)-dione
Purity: 95+%
Packaging: 1g
Price: $574
Updated: 2021/12/16

Chemenu

Product number: CM166554
Product name: 1-(2-fluoro-6-(trifluoromethyl)benzyl)-6-methylpyrimidine-2,4(1H,3H)-dione
Purity: 95%+
Packaging: 1000g
Price: $1408
Updated: 2021/12/16

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1-(2-Fluoro-6-(trifluoromethyl)benzyl)-6-methylpyrimidine-2,4(1H,3H)-dione Chemical Properties,Usage,Production

Uses

1-(2-Fluoro-6-(trifluoromethyl)benzyl)-6-methylpyrimidine-2,4(1H,3H)-dione is a pharmaceutical intermediate ingredient used in the preparation of Elagolix sodium, which is FDA-approved for the treatment of pain associated with moderate to severe pain associated with endometriosis.

Synthesis

830346-46-8

1694-31-1

830346-47-9

Using 1-(2-fluoro-6-(trifluoromethyl)benzyl)urea (2.568 g, 10.9 mmol) and tert-butyl acetoacetate (5.0 g) in toluene (125 mL), the mixture was briefly heated to reflux using a Dean-Stark splitter. Subsequently, tert-butyl acetoacetate (5.0 g) was added and heating to reflux was continued for 4 hours. Next, p-toluenesulfonic acid monohydrate (2.82 g, 14.8 mmol) was added and reflux was continued for 1 hour. Upon completion of the reaction, toluene was replaced with isopropanol (i-PrOH) and the volume of the solution was concentrated to approximately 30 mL. The solution was stirred overnight at room temperature to crystallize the product. The crystallized product was collected by filtration and washed with a small amount of isopropanol to give 2.01 g of 1-(2-fluoro-6-(trifluoromethyl)benzyl)-6-methylpyrimidine-2,4(1H,3H)-dione in 63% yield. The product was analyzed by LCMS (ESI) at m/z 303.0 (MH+).

References

[1] Patent: WO2009/62087, 2009, A1. Location in patent: Page/Page column 8

1-(2-Fluoro-6-(trifluoromethyl)benzyl)-6-methylpyrimidine-2,4(1H,3H)-dione Preparation Products And Raw materials

Raw materials

Preparation Products

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1-(2-Fluoro-6-(trifluoromethyl)benzyl)-6-methylpyrimidine-2,4(1H,3H)-dione Suppliers

China 189 India 7 United States 6 Global 202

Anhui nuoquan pharmaceutical co. LTD

Tel: 0556-5032870 15705561919
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ProdList: 101
Advantage: 55

ChengDu TongChuangYuan Pharmaceutical Co.Ltd

Tel: 28-83379370 13880556291
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Adamas Reagent, Ltd.

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Shanghai Boc Chemical Co.,Ltd

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Email: sales@bocpharma.com
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T&W GROUP

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Nanjing Norris-Pharm Technology Co., Ltd

Tel: 18652989687
Fax: +86-25-52131256
Email: sales@norris-pharm.com
Country: China
ProdList: 8878
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SHANGHAI YINGRUI CHEMICAL TECHNOLOGY CO.,LTD.

Tel: 21-33585366 13311639313
Fax: +86-21-34979012
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Country: China
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Chengdu D-innovation Pharmaceutical Co.，LTD

Tel: 028-85105512 17802830247
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View Lastest Price from 1-(2-Fluoro-6-(trifluoromethyl)benzyl)-6-methylpyrimidine-2,4(1H,3H)-dione manufacturers

Hebei Xinsheng New Material Technology Co., LTD.

Product: Benzeneacetic acid, 4-fluoro-.alpha.-(1-methylethyl)-, (.alpha.S)- 830346-47-9
Price: US $35.00-25.00/kg
Min. Order: 1kg
Purity: 99%
Supply Ability: 20 Ton
Release date: 2023-11-16

Hangzhou ICH Biofarm Co., Ltd

Product: 1-[2-Fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimidine-2,4(1H,3H)-dione 830346-47-9
Price: US $0.00-0.00/kg
Min. Order: 1kg
Purity: 99.0%min
Supply Ability: 800kg
Release date: 2023-06-09

Zhuozhou Wenxi import and Export Co., Ltd

Product: 1-[2-Fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimidine-2,4(1H,3H)-dione 830346-47-9
Price: US $15.00-10.00/KG
Min. Order: 1KG
Purity: 99%+ HPLC
Supply Ability: Monthly supply of 1 ton
Release date: 2021-07-11

830346-47-9, 1-(2-Fluoro-6-(trifluoromethyl)benzyl)-6-methylpyrimidine-2,4(1H,3H)-dioneRelated Search:

Savolitinib 1-(2-FLUORO-6-(TRIFLOROMETHYL)BENZYL)UREA 1-((2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methyl)-4-methylpiperazin-2-one Piperazine, 1-[(6-broMo-3-pyridinyl)Methyl]-4-ethyl- O-(2-(vinyloxy)ethyl)hydroxylamine 5-(2-Fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1H,3H)-pyrimidinedione 3-[(2R)-2-Amino-2-phenylethyl]-5-(2-fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1H,3H)-pyrimidinedione 5-Bromo-1-(2-fluoro-6-trifluoromethyl-benzyl)-6-methyl-1H-pyrimidine-2,4-dione 1-[2-fluoro-6-(trifluoromethyl)benzyl]-5-iodo-6-methylpyrimidine-2,4(1H,3H)-dione

Benzeneacetic acid, 4-fluoro-.alpha.-(1-methylethyl)-, (.alpha.S)-

1-(2-Fluoro-6-trifluoromethyl-benzyl)-6-methyl-1H-pyrimidine-2,4-dione

1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-2,4-dione

2,4(1H,3H)-Pyrimidinedione, 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-

4-fluoro-.alpha.-(1-methylethyl)-, (.alpha.S)-

elagolix intermediate

elagolix intermediate 4

1-[2-Fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimidine-2,4(1H,3H)-dione

1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methyl-2,4(1H,3H)-pyrimidinedione

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

1-[2-Fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimidine- 2-2,4(1H,3H)-dione

1-(2-Flouro-6-(triflouromethyl)benzyl)-6-methylpyrimidine-2,4-(1H,3H)-dione

Elagolix Sodium Intermediate

Elagolix Impurity 27

1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimidine-2,...

1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimi

1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimid

1-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

1-{2- Fluoro -6- trifluoromethyl - benzyl )-6- mcthyl -1H- pyrimidine -2,4- dione

Benzeneacetic acid, 4-fluoro-.alpha.-(1-ethylethyl)-,(.alpha.S)-

830346-47-9