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775304-57-9

Basic Information
CAS No.: 775304-57-9
Name: Ataluren (PTC124)
Article Data: 14
Molecular Structure:
Molecular Structure of 775304-57-9 (Ataluren (PTC124))
Formula: C15H9FN2O3
Molecular Weight: 284.246
Synonyms: Ataluren;PTC 124;
Density: 1.379 g/cm3
Boiling Point: 503.7 °C at 760 mmHg
Flash Point: 258.4 °C
PSA: 76.22000
LogP: 3.24090
Synthetic route
775304-60-4

3-((5-(2-fluorophenyl))-(1,2,4-oxadiazol-3-yl))benzoic acid methyl ester

Conditions
ConditionsYield
Stage #1: 3-((5-(2-fluorophenyl))-(1,2,4-oxadiazol-3-yl))benzoic acid methyl ester With sodium hydroxide; water at 100℃; for 2h; Heating / reflux;
Stage #2: With hydrogenchloride In water
96%
Stage #1: 3-((5-(2-fluorophenyl))-(1,2,4-oxadiazol-3-yl))benzoic acid methyl ester With sodium hydroxide; water In tetrahydrofuran at 100℃; for 2h; Heating / reflux;
Stage #2: With hydrogenchloride In water
96%
Stage #1: 3-((5-(2-fluorophenyl))-(1,2,4-oxadiazol-3-yl))benzoic acid methyl ester With sodium hydroxide; water In tetrahydrofuran at 100℃; for 2h; Heating / reflux;
Stage #2: With hydrogenchloride In water
96%

Conditions
ConditionsYield
Stage #1: 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzaldehyde With potassium dihydrogenphosphate; dihydrogen peroxide In water; acetonitrile at 20 - 30℃;
Stage #2: With sodium chlorite In water; acetonitrile at 0 - 30℃; for 5h;
90%

775304-57-9

ataluren

Conditions
ConditionsYield
In tert-butyl alcohol at 80℃; for 24h;88.4%
692771-01-0

5-(2-fluorophenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole

775304-57-9

ataluren

Conditions
ConditionsYield
With basic cobalt(II) carbonate; sodium bromide In acetic acid at 95℃; for 11h; Green chemistry;85%
With pyridine; potassium permanganate In water at 85℃; for 6.5h;40%
393-52-2

2-Fluorobenzoyl chloride

775304-57-9

ataluren

Conditions
ConditionsYield
Stage #1: 3-Cyanobenzoic acid With hydroxylamine In water; tert-butyl alcohol at 38 - 41℃; for 21h;
Stage #2: 2-Fluorobenzoyl chloride With triethylamine In water; tert-butyl alcohol at 27 - 40℃; for 7h;
Stage #3: With hydrogenchloride; water Product distribution / selectivity; more than 3 stages;
76%
199447-10-4

3-(N'-hydroxycarbamimidoyl)benzoic acid

445-29-4

o-fluoro-benzoic acid

775304-57-9

ataluren

Conditions
ConditionsYield
With tetrachloromethane; diethoxymethylsilane; Bis(p-nitrophenyl) phosphate; triphenylphosphine In toluene at 120℃; for 24h; Reflux; Large scale;65%
1141475-82-2, 1227154-43-9, 775304-79-5

3-(N-hydroxycarbamimidoyl)-benzoic acid methyl ester

393-52-2

2-Fluorobenzoyl chloride

775304-57-9

ataluren

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: boron trifluoride diethyl etherate / 1,4-dioxane / 12.5 h / 0 °C / Reflux
2: sodium hydroxide; water / ethanol / 3 h / 20 °C
View Scheme

C15H13FN2O

775304-57-9

ataluren

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: hydroxylamine hydrochloride; acetic acid / 3.5 h / 80 °C
2: pyridine; potassium permanganate / water / 6.5 h / 85 °C
View Scheme
445-29-4

o-fluoro-benzoic acid

775304-57-9

ataluren

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 3 h / 20 °C
2: hydroxylamine hydrochloride; acetic acid / 3.5 h / 80 °C
3: pyridine; potassium permanganate / water / 6.5 h / 85 °C
View Scheme
20680-59-5

3-methylbenzenecarboximidamide hydrochloride

775304-57-9

ataluren

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 3 h / 20 °C
2: hydroxylamine hydrochloride; acetic acid / 3.5 h / 80 °C
3: pyridine; potassium permanganate / water / 6.5 h / 85 °C
View Scheme
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    API name: Ataluren Certificates: GMP, DMF CAS No.: 775304-57-9 Chemical name: 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid Ataluren Benzoic acid, 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]- PTC124 Formula: C15H9FN2O

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    Ataluren CAS NO.775304-57-9

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    Ataluren (PTC124)

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    775304-57-9

    Ataluren (PTC124)

    Min.Order: 1 Gram

    FOB Price:  USD $ 0.0-0.0

    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemicals. W

    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, s

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  • Ataluren CAS NO.775304-57-9

  • Casno:

    775304-57-9

    Ataluren CAS NO.775304-57-9

    Min.Order: 1 Metric Ton

    FOB Price:  USD $ 1.5-1.5

    1.Applied in food field.it can improve the immune system and prolong life. 2.Appliedin cosmetic field.it can improve the skin care. 3.Applied in pharmaceutical field.it can treat various dieases. 4.Our product quality assurance will make our customer

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  • Ataluren (PTC124)

  • Casno:

    775304-57-9

    Ataluren (PTC124)

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 0.0-0.0

    GOLDEN PHARMA CO.,LIMITED.is a professional pharmaceutical company,our team have more than 20years expereince in pharmaceutical production and sales. we are a professional technical enterprise specializing in the R & D, production,QA regulation

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  • Ataluren CAS NO.775304-57-9

  • Casno:

    775304-57-9

    Ataluren CAS NO.775304-57-9

    Min.Order: 1 Metric Ton

    FOB Price:  USD $ 1.0-1.0

    We are a Union of chemistry in China, consists of chemists,engineers, laboratories,factories in China. We organize surplus capacity of R&D and production as well as custom synthesis for chemical products and chemical business project. We are supp

    We are a Union of chemistry in China, consists of chemists,engineers, laboratories,factories in China. We organize surplus capacity of R&D and production in China for chemicals cus

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  • Cas no.775304-57-9 98% Ataluren

  • Casno:

    775304-57-9

    Cas no.775304-57-9 98% Ataluren

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    Stock products, own laboratory Package:Grams, Kilograms Application:For R&D Transportation:According to customer request Port:Shanghai

    Established in 2007, Win-Win chemical CO., Ltd is a privately held corporation headquartered in Wenzhou Longwan Industry Distric, dedicated to the global pharmaceutical companies a

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    Business Type:Lab/Research institutions

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  • Ataluren CAS NO.775304-57-9

  • Casno:

    775304-57-9

    Ataluren CAS NO.775304-57-9

    Min.Order: 0

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    Lower price, sample is available,SDS test documents are available,large stock in warehouseAppearance:White powder Storage:Sealed and preserved Package:200/Kilograms Application:Fine chemical intermediates, used as the main raw material for the synthe

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    Business Type:Lab/Research institutions

    Tel:+86-571-86217390

    Address:No.567 Dengcai Street,Sandun,Westlake District,Hangzhou310030,Zhejiang,China.

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  • 3-(5-(2-Fluorophenyl)-1,2,4-oxadiazol-3-yl)benzoic acid

  • Casno:

    775304-57-9

    3-(5-(2-Fluorophenyl)-1,2,4-oxadiazol-3-yl)benzoic acid

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    R & D enterprises have their own stock in stockAppearance:To be subject to the object Package:Customized Application:pharmaceutical intermediates Transportation:Air Port:Shanghai;Guangzhou

    Hangzhou Dingyan Chem Co., LTD. is located in the beautiful tourist city of hangzhou, is a comprehensive chemical enterprice which doing import and export business by its own comp

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     China (Mainland)  |  Contact Details

    Business Type:Manufacturers

    Tel:86-571-86465881,86-571-87157530,86-571-88025800

    Address:RM.1118,NO.1 Building, Baiyun Tower,Jianggan Area, Hangzhou city, China,310004

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  • Ataluren

  • Casno:

    775304-57-9

    Ataluren

    Min.Order: 100 Kilogram

    FOB Price:  USD $ 0.0-0.0

    1. ISO AVALIABLE ; 2. IN STOCK 3. FAST REPLY QUALIFED ; EFFICIENCY; RESPONSIBLE Appearance:WHITE POWDER Storage:in cool Package:25kg/drum / 25kg/bag Application:active pharmaceutical ingredient Transportation:sea/air both ok Port:any

    HangZhou Clake Biotech CO.,LTD is located in hangzhou city ,zhejiang province,China. We are engaged in export of APIs ,excipients,food additives and finished products. With more th

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    Business Type:Trading Company

    Tel:86-571-87750367

    Address:RUIBO INTERNATIONAL ,HANGZHOU ,CHINA

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  • PTC 124

  • Casno:

    775304-57-9

    PTC 124

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    high quality Storage:Sealed, dry, microtherm , avoid light and smell. Package:According to the demand of customer Application:Organic synthesis Transportation:by air or by sea

    Located in Zhengdong New District,?Zhengzhou of Henan province, Henan Allgreen Chemical Co.,Ltd is a comprehensive high-tech modern enterprises integrating professional R&D, pro

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     China (Mainland)  |  Contact Details

    Business Type:Manufacturers

    Tel:+86-0371-87507775

    Address:No 260 Dongming Road,Jinshui District

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  • Ataluren

  • Casno:

    775304-57-9

    Ataluren

    Min.Order: 1 Gram

    FOB Price:  USD $ 0.0-0.0

    BOC Sciences is committed to supplying cost-effective products and services. We provide Ataluren. A nonaminoglycoside that has been reported to induce ribosomes to read through premature nonsense stop signals on mRNA, allowing the production of ful

    BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-info

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    United States  |  Contact Details

    Business Type:Trading Company

    Tel:1-631-485-4226

    Address:Ramsey Road

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  • Ataluren

  • Casno:

    775304-57-9

    Ataluren

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    1.Our services:A.Supply sampleB.The packing also can be according the customers` requirmentC.Any inquiries will be replied within 24 hoursD.we provide Commerical Invoice, Packing List, Bill of loading, COA , Health certificate and Origin certificate.

    Our company engages in Electronic chemicals such as OLED,Photoresist chemical,Electrolyte additive and Intermediate Pharmaceutical production; development of noble metal catalysts,

  •  Henan Tianfu Chemical Co., Ltd.

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:86-371-55170693/55170694

    Address:Zhengzhou International Trade New Territory,Jinshui District,Zhengzhou ,China

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Specification

The Ataluren with the CAS number 775304-57-9 is also called Benzoic acid,3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-. Its molecular formula is C15H9FN2O3. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 3.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.83; (4)ACD/LogD (pH 7.4): 0.66; (5)ACD/BCF (pH 5.5): 5.07; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 32.08; (8)ACD/KOC (pH 7.4): 2.19; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 65.22 Å2; (13)Index of Refraction: 1.603; (14)Molar Refractivity: 70.84 cm3; (15)Molar Volume: 205.9 cm3; (16)Polarizability: 28.08×10-24cm3; (17)Surface Tension: 56.8 dyne/cm; (18)Enthalpy of Vaporization: 81.4 kJ/mol; (19)Vapour Pressure: 5.75×10-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc3ccccc3c1nc(no1)c2cc(ccc2)C(=O)O
(2)InChI: InChI=1/C15H9FN2O3/c16-12-7-2-1-6-11(12)14-17-13(18-21-14)9-4-3-5-10(8-9)15(19)20/h1-8H,(H,19,20)
(3)InChIKey: OOUGLTULBSNHNF-UHFFFAOYAJ