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Cas Database

878672-00-5

878672-00-5

878672-00-5

Identification

  • Product Name:RDEA 594

  • CAS Number: 878672-00-5

  • EINECS:1592732-453-0

  • Molecular Weight:404.287

  • Molecular Formula: C17H14BrN3O2S

  • HS Code:

  • Mol File:878672-00-5.mol

Synonyms:RDEA594;LESINURAD;CS-1389;2-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid;

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Chemical Properties

  • Melting Point: >171oC (dec.)

  • Boiling Point: 643.7±65.0 °C(Predicted)

  • Density: 1.72±0.1 g/cm3(Predicted)

  • Solubility:DMSO (Slightly), Methanol (Slightly, Heated)

  • Storage Temp.:-20°C Freezer, Under inert atmosphere

  • PKA: 2.91±0.10(Predicted)

  • PSA: 93.31000

  • LogP: 4.23710

Safety information and MSDS view more

  • Signal Word:Warning

  • Hazard Statement:H302 Harmful if swallowed

  • First-aid measures: General adviceConsult a physician. Show this safety data sheet to the doctor in attendance.If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician. In case of skin contact Wash off with soap and plenty of water. Consult a physician. In case of eye contact Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician. If swallowed Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

  • Fire-fighting measures: Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Wear self-contained breathing apparatus for firefighting if necessary.

  • Accidental release measures: Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8. Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

  • Handling and storage: Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2. Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

  • Exposure controls/personal protection:Occupational Exposure limit valuesBiological limit values Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. Eye/face protection Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Respiratory protection Wear dust mask when handling large quantities. Thermal hazards

Supplier and reference price view more

  • Manufacture/Brand
  • Product Description
  • Packaging
  • Price
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  • Purchase
  • Manufacture/Brand:TRC
  • Product Description:Lesinurad
  • Packaging:100mg
  • Price:$ 130
  • Delivery:In stock
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  • Manufacture/Brand:DC Chemicals
  • Product Description:Lesinurad(RDEA594） >98%
  • Packaging:1 g
  • Price:$ 800
  • Delivery:In stock
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  • Manufacture/Brand:DC Chemicals
  • Product Description:Lesinurad(RDEA594） >98%
  • Packaging:100 mg
  • Price:$ 200
  • Delivery:In stock
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  • Manufacture/Brand:Crysdot
  • Product Description:Lesinurad 98+%
  • Packaging:50mg
  • Price:$ 216
  • Delivery:In stock
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  • Manufacture/Brand:Crysdot
  • Product Description:Lesinurad 98+%
  • Packaging:100mg
  • Price:$ 260
  • Delivery:In stock
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  • Manufacture/Brand:ChemScene
  • Product Description:Lesinurad 99.99%
  • Packaging:10mg
  • Price:$ 84
  • Delivery:In stock
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  • Manufacture/Brand:ChemScene
  • Product Description:Lesinurad 99.99%
  • Packaging:5mg
  • Price:$ 60
  • Delivery:In stock
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  • Manufacture/Brand:ChemScene
  • Product Description:Lesinurad 99.99%
  • Packaging:50mg
  • Price:$ 228
  • Delivery:In stock
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  • Manufacture/Brand:ChemScene
  • Product Description:Lesinurad 99.99%
  • Packaging:100mg
  • Price:$ 312
  • Delivery:In stock
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  • Manufacture/Brand:Cayman Chemical
  • Product Description:Lesinurad ≥98%
  • Packaging:50mg
  • Price:$ 317
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Relevant articles and documentsAll total 32 Articles be found

Characterization of stereoselective metabolism, inhibitory effect on uric acid uptake transporters, and pharmacokinetics of lesinurad atropisomers

Yang, Chun,Zhou, Dongmei,Shen, Zancong,Wilson, David M.,Renner, Matthew,Miner, Jeffrey N.,Girardet, Jean-Luc,Lee, Caroline A.

, p. 104 - 113 (2019)

Lesinurad [Zurampic; 2-(5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio)], a selective inhibitor of uric acid reabsorption transporters approved for the treatment of gout, is a racemate of two atropisomers. The objective of this investigation was to evaluate the stereoselectivity of metabolism, the inhibitory potency on kidney uric acid reabsorption transporters (URAT1 and OAT4), and the clinical pharmacokinetics of the lesinurad atropisomers. Incubations with human liver microsomes (HLM), recombinant CYP2C9, and recombinant CYP3A4 were carried out to characterize the stereoselective formation of three metabolites: M3 (hydroxyl-ation), M4 (a dihydrodiol metabolite), and M6 (S-dealkylation). The formation of M3 in HLM with atropisomer 1 was approximately twice as much as that with atropisomer 2, whereas formation of M4 with atropisomer 1 was 8- to 12-fold greater than that with atropisomer 2. There were no significant differences in the plasma protein binding among lesinurad and the atropisomers. Following oral administration of 400 mg lesinurad once daily for 14 days to healthy human volunteers, the systemic exposure (Cmax at steady state and area under the concentration-time curve from time zero to the time of dosing interval) of atropisomer 1 was approximately 30% lower than that of atropisomer 2, whereas renal clearance was similar. In vitro cell-based assays using HEK293 stable cells expressing URAT1 and OAT4 demonstrated that atropisomer 2 was approximately 4-fold more potent against URAT1 than atropisomer 1 and equally active against OAT4. In conclusion, lesinurad atropisomers showed stereoselectivity in clinical pharmacokinetics, metabolism, and inhibitory potency against URAT1.

Synthesis of lesinurad via a multicomponent reaction with isocyanides and disulfides

Li, Yaoqi,Sun, Zhihua

supporting information, (2020/07/21)

An efficient synthesis of Lesinurad a selective uric acid reabsorption (URAT1) inhibitor, is described in this article. The route to synthesis of Lesinurad avoids the use of thiophosgene and the formation of thiols. The key reaction in this synthesis is construction of the 1,2,4-Triazole ring in 72percent yield. The title product is obtained in 45percent yield over 5 steps.

Method for purifying Lesinurad impurity

-

Paragraph 0034-0037, (2020/07/12)

The invention relates to a method for purifying a Lesinurad impurity. The purification route is shown in the specification. The method is simple and safe in operation, good in yield, high in product purity, good in economic effect and suitable for industrial production.

Process route upstream and downstream products

Process route

1-cyclopropyl-naphthalene
25033-19-6

1-cyclopropyl-naphthalene

2-{[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
878672-00-5

2-{[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

Conditions
Conditions Yield
Multi-step reaction with 7 steps
1.1: sodium nitrite / 2.5 h / 0 °C
2.1: hydrogen / palladium 10% on activated carbon / ethanol
3.1: N-ethyl-N,N-diisopropylamine / dichloromethane / 0.08 h / 0 °C
4.1: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 15 h / 50 °C
4.2: 60 h / 50 °C
5.1: potassium carbonate / 24.08 h / 20 °C
6.1: sodium nitrite; N-benzyl-N,N,N-triethylammonium chloride; Bromoform; dichloro-acetic acid / 3 h / 20 °C
7.1: water; lithium hydroxide / ethanol; tetrahydrofuran / 0.83 h / 0 °C
7.2: 0 °C / pH 7
With dichloro-acetic acid; Bromoform; N-benzyl-N,N,N-triethylammonium chloride; water; hydrogen; potassium carbonate; N-ethyl-N,N-diisopropylamine; lithium hydroxide; sodium nitrite; palladium 10% on activated carbon; In tetrahydrofuran; ethanol; dichloromethane; N,N-dimethyl-formamide;
Multi-step reaction with 10 steps
1: nitric acid / 0 - 20 °C
2: palladium on activated charcoal; hydrogen
3: toluene; water
4: potassium hydroxide
5: N,N-dimethyl-formamide / 50 - 55 °C
6: potassium hydrogencarbonate / N,N-dimethyl-formamide; water / 90 - 140 °C
7: sodium carbonate / N,N-dimethyl-formamide / 27 - 35 °C / Large scale
8: N-Bromosuccinimide / tetrahydrofuran / 27 - 32 °C / Large scale
9: sodium hydroxide / toluene; water / 18 - 25 °C / Large scale
10: hydrogen bromide / water; ethyl acetate / 30 - 35 °C / pH 2 - 4 / Large scale
With N-Bromosuccinimide; palladium on activated charcoal; hydrogen bromide; hydrogen; nitric acid; sodium carbonate; potassium hydrogencarbonate; potassium hydroxide; sodium hydroxide; In tetrahydrofuran; water; ethyl acetate; N,N-dimethyl-formamide; toluene;
Multi-step reaction with 10 steps
1: nitric acid / 0 - 20 °C
2: palladium on activated charcoal; hydrogen
3: toluene; water
4: potassium hydroxide
5: N,N-dimethyl-formamide
6: sodium hydroxide / N,N-dimethyl-formamide; water / Heating
7: N,N-dimethyl-formamide / 14 - 22 °C
8: copper(ll) bromide; potassium nitrite / acetonitrile / 14 - 20 °C
9: sodium hydroxide / toluene; water / 18 - 25 °C / Large scale
10: hydrogen bromide / water; ethyl acetate / 30 - 35 °C / pH 2 - 4 / Large scale
With potassium nitrite; palladium on activated charcoal; hydrogen bromide; hydrogen; nitric acid; potassium hydroxide; sodium hydroxide; copper(ll) bromide; In water; ethyl acetate; N,N-dimethyl-formamide; toluene; acetonitrile;
Multi-step reaction with 8 steps
1: nitric acid / 0 - 20 °C
2: palladium on activated charcoal; hydrogen
3: water; 5,5-dimethyl-1,3-cyclohexadiene / 90 - 140 °C
4: N,N-dimethyl-formamide / 50 - 55 °C
5: potassium hydrogencarbonate / N,N-dimethyl-formamide; water / 90 - 140 °C
6: sodium carbonate / N,N-dimethyl-formamide / 27 - 35 °C / Large scale
7: N-Bromosuccinimide / tetrahydrofuran / 27 - 32 °C / Large scale
8: sodium hydroxide; water / toluene / 18 - 25 °C
With N-Bromosuccinimide; palladium on activated charcoal; water; hydrogen; nitric acid; sodium carbonate; potassium hydrogencarbonate; sodium hydroxide; In tetrahydrofuran; 5,5-dimethyl-1,3-cyclohexadiene; water; N,N-dimethyl-formamide; toluene;
Multi-step reaction with 8 steps
1: nitric acid / 0 - 20 °C
2: hydrazine hydrate / methanol / Reflux
3: potassium hydroxide / dichloromethane
4: N,N-dimethyl-formamide / 50 - 55 °C
5: potassium hydrogencarbonate / N,N-dimethyl-formamide; water / 90 - 140 °C
6: sodium carbonate / N,N-dimethyl-formamide / 27 - 35 °C / Large scale
7: N-Bromosuccinimide / tetrahydrofuran / 27 - 32 °C / Large scale
8: sodium hydroxide; water / toluene / 18 - 25 °C
With N-Bromosuccinimide; water; nitric acid; sodium carbonate; potassium hydrogencarbonate; hydrazine hydrate; potassium hydroxide; sodium hydroxide; In tetrahydrofuran; methanol; dichloromethane; water; N,N-dimethyl-formamide; toluene;
Multi-step reaction with 8 steps
1: nitric acid / 0 - 20 °C
2: palladium on activated charcoal; hydrogen
3: water; 5,5-dimethyl-1,3-cyclohexadiene / 90 - 140 °C
4: N,N-dimethyl-formamide
5: sodium hydroxide / N,N-dimethyl-formamide; water / Heating
6: N,N-dimethyl-formamide / 14 - 22 °C
7: copper(ll) bromide; potassium nitrite / acetonitrile / 14 - 20 °C
8: sodium hydroxide; water / toluene / 18 - 25 °C
With potassium nitrite; palladium on activated charcoal; water; hydrogen; nitric acid; sodium hydroxide; copper(ll) bromide; In 5,5-dimethyl-1,3-cyclohexadiene; water; N,N-dimethyl-formamide; toluene; acetonitrile;
Multi-step reaction with 8 steps
1: nitric acid / 0 - 20 °C
2: hydrazine hydrate / methanol / Reflux
3: potassium hydroxide / dichloromethane
4: N,N-dimethyl-formamide
5: sodium hydroxide / N,N-dimethyl-formamide; water / Heating
6: N,N-dimethyl-formamide / 14 - 22 °C
7: copper(ll) bromide; potassium nitrite / acetonitrile / 14 - 20 °C
8: sodium hydroxide; water / toluene / 18 - 25 °C
With potassium nitrite; water; nitric acid; hydrazine hydrate; potassium hydroxide; sodium hydroxide; copper(ll) bromide; In methanol; dichloromethane; water; N,N-dimethyl-formamide; toluene; acetonitrile;
Multi-step reaction with 9 steps
1: nitric acid / 0 - 20 °C
2: palladium on activated charcoal; hydrogen
3: toluene; water
4: potassium hydroxide
5: N,N-dimethyl-formamide / 50 - 55 °C
6: potassium hydrogencarbonate / N,N-dimethyl-formamide; water / 90 - 140 °C
7: sodium carbonate / N,N-dimethyl-formamide / 27 - 35 °C / Large scale
8: N-Bromosuccinimide / tetrahydrofuran / 27 - 32 °C / Large scale
9: sodium hydroxide; water / toluene / 18 - 25 °C
With N-Bromosuccinimide; palladium on activated charcoal; water; hydrogen; nitric acid; sodium carbonate; potassium hydrogencarbonate; potassium hydroxide; sodium hydroxide; In tetrahydrofuran; water; N,N-dimethyl-formamide; toluene;
Multi-step reaction with 9 steps
1: nitric acid / 0 - 20 °C
2: palladium on activated charcoal; hydrogen
3: water; 5,5-dimethyl-1,3-cyclohexadiene / 90 - 140 °C
4: N,N-dimethyl-formamide / 50 - 55 °C
5: potassium hydrogencarbonate / N,N-dimethyl-formamide; water / 90 - 140 °C
6: sodium carbonate / N,N-dimethyl-formamide / 27 - 35 °C / Large scale
7: N-Bromosuccinimide / tetrahydrofuran / 27 - 32 °C / Large scale
8: sodium hydroxide / toluene; water / 18 - 25 °C / Large scale
9: hydrogen bromide / water; ethyl acetate / 30 - 35 °C / pH 2 - 4 / Large scale
With N-Bromosuccinimide; palladium on activated charcoal; hydrogen bromide; hydrogen; nitric acid; sodium carbonate; potassium hydrogencarbonate; sodium hydroxide; In tetrahydrofuran; 5,5-dimethyl-1,3-cyclohexadiene; water; ethyl acetate; N,N-dimethyl-formamide; toluene;
Multi-step reaction with 9 steps
1: nitric acid / 0 - 20 °C
2: hydrazine hydrate / methanol / Reflux
3: potassium hydroxide / dichloromethane
4: N,N-dimethyl-formamide / 50 - 55 °C
5: potassium hydrogencarbonate / N,N-dimethyl-formamide; water / 90 - 140 °C
6: sodium carbonate / N,N-dimethyl-formamide / 27 - 35 °C / Large scale
7: N-Bromosuccinimide / tetrahydrofuran / 27 - 32 °C / Large scale
8: sodium hydroxide / toluene; water / 18 - 25 °C / Large scale
9: hydrogen bromide / water; ethyl acetate / 30 - 35 °C / pH 2 - 4 / Large scale
With N-Bromosuccinimide; hydrogen bromide; nitric acid; sodium carbonate; potassium hydrogencarbonate; hydrazine hydrate; potassium hydroxide; sodium hydroxide; In tetrahydrofuran; methanol; dichloromethane; water; ethyl acetate; N,N-dimethyl-formamide; toluene;
Multi-step reaction with 9 steps
1: nitric acid / 0 - 20 °C
2: palladium on activated charcoal; hydrogen
3: toluene; water
4: potassium hydroxide
5: N,N-dimethyl-formamide
6: sodium hydroxide / N,N-dimethyl-formamide; water / Heating
7: N,N-dimethyl-formamide / 14 - 22 °C
8: copper(ll) bromide; potassium nitrite / acetonitrile / 14 - 20 °C
9: sodium hydroxide; water / toluene / 18 - 25 °C
With potassium nitrite; palladium on activated charcoal; water; hydrogen; nitric acid; potassium hydroxide; sodium hydroxide; copper(ll) bromide; In water; N,N-dimethyl-formamide; toluene; acetonitrile;
Multi-step reaction with 9 steps
1: nitric acid / 0 - 20 °C
2: palladium on activated charcoal; hydrogen
3: water; 5,5-dimethyl-1,3-cyclohexadiene / 90 - 140 °C
4: N,N-dimethyl-formamide
5: sodium hydroxide / N,N-dimethyl-formamide; water / Heating
6: N,N-dimethyl-formamide / 14 - 22 °C
7: copper(ll) bromide; potassium nitrite / acetonitrile / 14 - 20 °C
8: sodium hydroxide / toluene; water / 18 - 25 °C / Large scale
9: hydrogen bromide / water; ethyl acetate / 30 - 35 °C / pH 2 - 4 / Large scale
With potassium nitrite; palladium on activated charcoal; hydrogen bromide; hydrogen; nitric acid; sodium hydroxide; copper(ll) bromide; In 5,5-dimethyl-1,3-cyclohexadiene; water; ethyl acetate; N,N-dimethyl-formamide; toluene; acetonitrile;
Multi-step reaction with 9 steps
1: nitric acid / 0 - 20 °C
2: hydrazine hydrate / methanol / Reflux
3: potassium hydroxide / dichloromethane
4: N,N-dimethyl-formamide
5: sodium hydroxide / N,N-dimethyl-formamide; water / Heating
6: N,N-dimethyl-formamide / 14 - 22 °C
7: copper(ll) bromide; potassium nitrite / acetonitrile / 14 - 20 °C
8: sodium hydroxide / toluene; water / 18 - 25 °C / Large scale
9: hydrogen bromide / water; ethyl acetate / 30 - 35 °C / pH 2 - 4 / Large scale
With potassium nitrite; hydrogen bromide; nitric acid; hydrazine hydrate; potassium hydroxide; sodium hydroxide; copper(ll) bromide; In methanol; dichloromethane; water; ethyl acetate; N,N-dimethyl-formamide; toluene; acetonitrile;
Multi-step reaction with 8 steps
1: nitric acid / water; dichloromethane
2: palladium on activated charcoal; hydrogen; oxalic acid / ethanol
3: ethyl acetate
4: ethanol
5: triethylamine / ethanol
6: potassium carbonate / N,N-dimethyl-formamide
7: N-Bromosuccinimide / tetrahydrofuran
8: sodium hydroxide; water / toluene
With N-Bromosuccinimide; palladium on activated charcoal; water; hydrogen; nitric acid; oxalic acid; potassium carbonate; triethylamine; sodium hydroxide; In tetrahydrofuran; ethanol; dichloromethane; water; ethyl acetate; N,N-dimethyl-formamide; toluene;
1-cyclopropyl-naphthalene
25033-19-6

1-cyclopropyl-naphthalene

(-)-2-(5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio)acetic acid
878672-00-5

(-)-2-(5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio)acetic acid

(+)-2-(5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio)acetic acid
878672-00-5

(+)-2-(5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio)acetic acid

Conditions
Conditions Yield
Multi-step reaction with 9 steps
1: nitric acid / water; dichloromethane
2: palladium on activated charcoal; hydrogen; oxalic acid / ethanol
3: ethyl acetate
4: ethanol
5: triethylamine / ethanol
6: potassium carbonate / N,N-dimethyl-formamide
7: N-Bromosuccinimide / tetrahydrofuran
8: sodium hydroxide; water / toluene
9: CHIRALPAK AS-3 50*250mm, 50um / methanol; acetic acid; carbon dioxide / 34 °C / liquid CO2
With N-Bromosuccinimide; palladium on activated charcoal; water; hydrogen; nitric acid; oxalic acid; potassium carbonate; triethylamine; sodium hydroxide; In tetrahydrofuran; methanol; ethanol; dichloromethane; carbon dioxide; water; acetic acid; ethyl acetate; N,N-dimethyl-formamide; toluene;
1-cyclopropyl-naphthalene
25033-19-6

1-cyclopropyl-naphthalene

(-)-2-(5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio)acetic acid
878672-00-5

(-)-2-(5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio)acetic acid

(+)-2-(5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio)acetic acid
878672-00-5

(+)-2-(5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio)acetic acid

Conditions
Conditions Yield
Multi-step reaction with 9 steps
1: nitric acid / water; dichloromethane
2: palladium on activated charcoal; hydrogen; oxalic acid / ethanol
3: ethyl acetate
4: ethanol
5: triethylamine / ethanol
6: potassium carbonate / N,N-dimethyl-formamide
7: N-Bromosuccinimide / tetrahydrofuran
8: sodium hydroxide; water / toluene
9: CHIRALPAK AS-3 50*250mm, 50um / methanol; acetic acid; carbon dioxide / 34 °C / liquid CO2
With N-Bromosuccinimide; palladium on activated charcoal; water; hydrogen; nitric acid; oxalic acid; potassium carbonate; triethylamine; sodium hydroxide; In tetrahydrofuran; methanol; ethanol; dichloromethane; carbon dioxide; water; acetic acid; ethyl acetate; N,N-dimethyl-formamide; toluene;
2-((4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazole-3-yl)thio)acetic acid methyl ester
1533519-85-5

2-((4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazole-3-yl)thio)acetic acid methyl ester

2-{[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
878672-00-5

2-{[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

Conditions
Conditions Yield
Multi-step reaction with 2 steps
1: N-Bromosuccinimide / tetrahydrofuran / 27 - 32 °C / Large scale
2: sodium hydroxide; water / toluene / 18 - 25 °C
With N-Bromosuccinimide; water; sodium hydroxide; In tetrahydrofuran; toluene;
Multi-step reaction with 3 steps
1: N-Bromosuccinimide / tetrahydrofuran / 27 - 32 °C / Large scale
2: sodium hydroxide / toluene; water / 18 - 25 °C / Large scale
3: hydrogen bromide / water; ethyl acetate / 30 - 35 °C / pH 2 - 4 / Large scale
With N-Bromosuccinimide; hydrogen bromide; sodium hydroxide; In tetrahydrofuran; water; ethyl acetate; toluene;
Multi-step reaction with 3 steps
1: 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; N-Bromosuccinimide / tetrahydrofuran / 3 h / 30 - 32 °C
2: sodium hydroxide; water / tetrahydrofuran / 2 h
3: hydrogenchloride / water
With hydrogenchloride; N-Bromosuccinimide; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; water; sodium hydroxide; In tetrahydrofuran; water;
Multi-step reaction with 2 steps
1: N-Bromosuccinimide / tetrahydrofuran
2: sodium hydroxide; water / toluene
With N-Bromosuccinimide; water; sodium hydroxide; In tetrahydrofuran; toluene;
Multi-step reaction with 3 steps
1: 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; N-Bromosuccinimide / tetrahydrofuran / 3 h / 30 - 32 °C
2: sodium hydroxide / tetrahydrofuran; water / 2 h
3: hydrogenchloride / water
With hydrogenchloride; N-Bromosuccinimide; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sodium hydroxide; In tetrahydrofuran; water;
Multi-step reaction with 3 steps
1: N-Bromosuccinimide / tetrahydrofuran / 2 - 32 °C
2: sodium hydroxide / toluene; water / 10 - 15 °C
3: hydrogen bromide / water / pH 4 - 5
With N-Bromosuccinimide; hydrogen bromide; sodium hydroxide; In tetrahydrofuran; water; toluene;
2-((4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazole-3-yl)thio)acetic acid methyl ester
1533519-85-5

2-((4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazole-3-yl)thio)acetic acid methyl ester

(R)-2-((5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
878672-00-5

(R)-2-((5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid

Conditions
Conditions Yield
Multi-step reaction with 4 steps
1: 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; N-Bromosuccinimide / tetrahydrofuran / 3 h / 30 - 32 °C
2: sodium hydroxide / tetrahydrofuran; water / 2 h
3: hydrogenchloride / water
4: (1S,2R)-2-Amino-1,2-diphenylethanol / acetone / 1 h / 80 °C
With hydrogenchloride; N-Bromosuccinimide; (1S,2R)-2-Amino-1,2-diphenylethanol; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sodium hydroxide; In tetrahydrofuran; water; acetone;
Multi-step reaction with 5 steps
1: N-Bromosuccinimide / tetrahydrofuran / 2 - 32 °C
2: sodium hydroxide / toluene; water / 10 - 15 °C
3: hydrogen bromide / water / pH 4 - 5
4: ethyl acetate / 1 h / Reflux
5: hydrogenchloride / water; dichloromethane / 0.25 h / 20 °C / pH 2 - 3
With hydrogenchloride; N-Bromosuccinimide; hydrogen bromide; sodium hydroxide; In tetrahydrofuran; dichloromethane; water; ethyl acetate; toluene;
2-((4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazole-3-yl)thio)acetic acid methyl ester
1533519-85-5

2-((4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazole-3-yl)thio)acetic acid methyl ester

(S)-2-((5-bromo-4-(4-cyclopropyl-1-naphthalenyl)-4H-1,2,4-triazol-3-yl)thio)-acetic acid
878672-00-5

(S)-2-((5-bromo-4-(4-cyclopropyl-1-naphthalenyl)-4H-1,2,4-triazol-3-yl)thio)-acetic acid

Conditions
Conditions Yield
Multi-step reaction with 4 steps
1: 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; N-Bromosuccinimide / tetrahydrofuran / 3 h / 30 - 32 °C
2: sodium hydroxide / tetrahydrofuran; water / 2 h
3: hydrogenchloride / water
4: (1R,2S)-2-Amino-1,2-diphenylethanol / acetone / 1 h / 70 °C
With hydrogenchloride; N-Bromosuccinimide; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; (1R,2S)-2-Amino-1,2-diphenylethanol; sodium hydroxide; In tetrahydrofuran; water; acetone;
2-((4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazole-3-yl)thio)acetic acid methyl ester
1533519-85-5

2-((4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazole-3-yl)thio)acetic acid methyl ester

(-)-2-(5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio)acetic acid
878672-00-5

(-)-2-(5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio)acetic acid

(+)-2-(5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio)acetic acid
878672-00-5

(+)-2-(5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio)acetic acid

Conditions
Conditions Yield
Multi-step reaction with 3 steps
1: N-Bromosuccinimide / tetrahydrofuran
2: sodium hydroxide; water / toluene
3: CHIRALPAK AS-3 50*250mm, 50um / methanol; acetic acid; carbon dioxide / 34 °C / liquid CO2
With N-Bromosuccinimide; water; sodium hydroxide; In tetrahydrofuran; methanol; carbon dioxide; acetic acid; toluene;
2-((4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazole-3-yl)thio)acetic acid methyl ester
1533519-85-5

2-((4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazole-3-yl)thio)acetic acid methyl ester

(-)-2-(5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio)acetic acid
878672-00-5

(-)-2-(5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio)acetic acid

(+)-2-(5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio)acetic acid
878672-00-5

(+)-2-(5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio)acetic acid

Conditions
Conditions Yield
Multi-step reaction with 3 steps
1: N-Bromosuccinimide / tetrahydrofuran
2: sodium hydroxide; water / toluene
3: CHIRALPAK AS-3 50*250mm, 50um / methanol; acetic acid; carbon dioxide / 34 °C / liquid CO2
With N-Bromosuccinimide; water; sodium hydroxide; In tetrahydrofuran; methanol; carbon dioxide; acetic acid; toluene;
2-((4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazole-3-yl)thio)acetic acid methyl ester
1533519-85-5

2-((4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazole-3-yl)thio)acetic acid methyl ester

(S)-2-((5-bromo-4-(4-cyclopropyl-1-naphthalenyl)-4H-1,2,4-triazol-3-yl)thio)-acetic acid
878672-00-5

(S)-2-((5-bromo-4-(4-cyclopropyl-1-naphthalenyl)-4H-1,2,4-triazol-3-yl)thio)-acetic acid

(R)-2-((5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
878672-00-5

(R)-2-((5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid

Conditions
Conditions Yield
Multi-step reaction with 4 steps
1: 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; N-Bromosuccinimide / tetrahydrofuran / 3 h / 30 - 32 °C
2: sodium hydroxide / tetrahydrofuran; water / 2 h
3: hydrogenchloride / water
4: (1S,2R)-2-Amino-1,2-diphenylethanol / acetone / 1 h / 60 °C
With hydrogenchloride; N-Bromosuccinimide; (1S,2R)-2-Amino-1,2-diphenylethanol; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sodium hydroxide; In tetrahydrofuran; water; acetone;
2-((4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazole-3-yl)thio)acetic acid methyl ester
1533519-85-5

2-((4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazole-3-yl)thio)acetic acid methyl ester

(S)-2-((5-bromo-4-(4-cyclopropyl-1-naphthalenyl)-4H-1,2,4-triazol-3-yl)thio)-acetic acid
878672-00-5

(S)-2-((5-bromo-4-(4-cyclopropyl-1-naphthalenyl)-4H-1,2,4-triazol-3-yl)thio)-acetic acid

(R)-2-((5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
878672-00-5

(R)-2-((5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid

Conditions
Conditions Yield
Multi-step reaction with 4 steps
1: 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; N-Bromosuccinimide / tetrahydrofuran / 3 h / 30 - 32 °C
2: sodium hydroxide / tetrahydrofuran; water / 2 h
3: hydrogenchloride / water
4: (1S,2R)-2-Amino-1,2-diphenylethanol / acetone / 1 h / 60 °C
With hydrogenchloride; N-Bromosuccinimide; (1S,2R)-2-Amino-1,2-diphenylethanol; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sodium hydroxide; In tetrahydrofuran; water; acetone;

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