129630-19-9

Basic information

• Product Name: POTASSIUM TELLURATE
• Synonyms: POTASSIUM TELLURATE TRIHYDRATE;POTASSIUM TELLURATE;milan;pyraflufen-ethyl (bsi,iso);PYRAFLUFEN-ETHYL STANDARD;Pyraflufen-ethy;Ethyl [2-chloro-5-(4-chloro-5-difluoromethoxy-1-methylpyrazol-3-yl)-4-fluorophenoxy]acetate;HERB 1
• CAS NO: 129630-19-9
• Molecular Formula: C₁₅H₁₃Cl₂F₃N₂O₄
• Molecular Weight: 269.79
• Mol File: 129630-19-9.mol
• Article Data: 3

Chemical Properties

• Melting Point: 125～130℃
• Boiling Point: 445.4 °C at 760 mmHg
• Flash Point: 223.2 °C
• Appearance: /
• Density: 1.5 g/cm³
• Vapor Pressure: 3.97E-08mmHg at 25°C
• Refractive Index: 1.546
• Storage Temp.: 2-8°C
• PKA: -2.79±0.10(Predicted)
• BRN: 11519423
• CAS DataBase Reference: POTASSIUM TELLURATE(CAS DataBase Reference)
• NIST Chemistry Reference: POTASSIUM TELLURATE(129630-19-9)
• EPA Substance Registry System: POTASSIUM TELLURATE(129630-19-9)

Safety Data

• Hazard Codes: N
• Statements: 50/53
• Safety Statements: 60-61
• RIDADR: UN 3077 9 / PGIII
• WGK Germany: 3
• RTECS: AF8796000
• Hazardous Substances Data: 129630-19-9(Hazardous Substances Data)

Usage

General Description

Potassium tellurate is a chemical compound with the formula K2TeO4. It is a yellow crystalline solid formed by the reaction of potassium hydroxide with telluric acid. It is used in the production of tellurium metal and as a catalyst in organic reactions. Potassium tellurate is also used in the synthesis of dyes and pharmaceuticals. It is a highly toxic compound and can cause severe skin and eye irritation if contact occurs. Additionally, it is considered harmful if ingested or inhaled, and proper precautions should be taken when handling this chemical.

InChI:InChI=1/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3

Synthetic route

ethanol (64-17-5) + 3-{4-chloro-2-fluoro-5-(N-methylcarbamoylmethoxy)phenyl}-5-difluoromethoxy-1-methylpyrazole → 1-methyl-3-[2-fluoro-4-chloro-5-(ethoxycarbonylmethoxy)phenyl]-4-chloro-5-difluoromethoxypyrazole (129630-19-9)

Conditions	Yield
Stage #1: 3-{4-chloro-2-fluoro-5-(N-methylcarbamoylmethoxy)phenyl}-5-difluoromethoxy-1-methylpyrazole With sulfuryl dichloride; acetic acid In chlorobenzene at 40℃; for 1h; Stage #2: ethanol With sulfuric acid In chlorobenzene at 100℃; for 9h;	85.5%

ethyl 3-(4-chloro-2-fluoro-5-(N-methylcarbamoylmethoxy)phenyl)acrylate → 1-methyl-3-[2-fluoro-4-chloro-5-(ethoxycarbonylmethoxy)phenyl]-4-chloro-5-difluoromethoxypyrazole (129630-19-9)

Conditions	Yield
Multi-step reaction with 5 steps 1.1: bromine / chlorobenzene / 1 h / 50 °C 2.1: chlorobenzene; methanol / 1 h / 40 °C 3.1: hydrogenchloride / ethanol; water / 2 h / 60 °C 3.2: 2 h / 60 - 80 °C 4.1: tetrabutyl-ammonium chloride; sodium hydroxide / acetonitrile / 5 h / 20 °C 5.1: acetic acid; sulfuryl dichloride / chlorobenzene / 1 h / 40 °C 5.2: 9 h / 100 °C View Scheme
Multi-step reaction with 6 steps 1.1: bromine / chlorobenzene / 1 h / 50 °C 2.1: triethylamine / chlorobenzene / 1.5 h / 40 - 70 °C 3.1: methanol / 1 h / 40 °C 4.1: hydrogenchloride / ethanol; water / 2 h / 60 °C 4.2: 2 h / 60 - 80 °C 5.1: tetrabutyl-ammonium chloride; sodium hydroxide / acetonitrile / 5 h / 20 °C 6.1: acetic acid; sulfuryl dichloride / chlorobenzene / 1 h / 40 °C 6.2: 9 h / 100 °C View Scheme

ethyl 2,3-dibromo-3-{4-chloro-2-fluoro-5-(N-methylcarbamoylmethoxy)phenyl}propionate → 1-methyl-3-[2-fluoro-4-chloro-5-(ethoxycarbonylmethoxy)phenyl]-4-chloro-5-difluoromethoxypyrazole (129630-19-9)

Conditions	Yield
Multi-step reaction with 4 steps 1.1: chlorobenzene; methanol / 1 h / 40 °C 2.1: hydrogenchloride / ethanol; water / 2 h / 60 °C 2.2: 2 h / 60 - 80 °C 3.1: tetrabutyl-ammonium chloride; sodium hydroxide / acetonitrile / 5 h / 20 °C 4.1: acetic acid; sulfuryl dichloride / chlorobenzene / 1 h / 40 °C 4.2: 9 h / 100 °C View Scheme
Multi-step reaction with 5 steps 1.1: triethylamine / chlorobenzene / 1.5 h / 40 - 70 °C 2.1: methanol / 1 h / 40 °C 3.1: hydrogenchloride / ethanol; water / 2 h / 60 °C 3.2: 2 h / 60 - 80 °C 4.1: tetrabutyl-ammonium chloride; sodium hydroxide / acetonitrile / 5 h / 20 °C 5.1: acetic acid; sulfuryl dichloride / chlorobenzene / 1 h / 40 °C 5.2: 9 h / 100 °C View Scheme

ethyl 3-methoxy-3-{4-chloro-2-fluoro-5-(N-methylcarbamoylmethoxy)phenyl}acrylate → 1-methyl-3-[2-fluoro-4-chloro-5-(ethoxycarbonylmethoxy)phenyl]-4-chloro-5-difluoromethoxypyrazole (129630-19-9)

Conditions	Yield
Multi-step reaction with 3 steps 1.1: hydrogenchloride / ethanol; water / 2 h / 60 °C 1.2: 2 h / 60 - 80 °C 2.1: tetrabutyl-ammonium chloride; sodium hydroxide / acetonitrile / 5 h / 20 °C 3.1: acetic acid; sulfuryl dichloride / chlorobenzene / 1 h / 40 °C 3.2: 9 h / 100 °C View Scheme

ethyl 2-bromo-3-{4-chloro-2-fluoro-5-(N-methylcarbamoylmethoxy)phenyl}acrylate → 1-methyl-3-[2-fluoro-4-chloro-5-(ethoxycarbonylmethoxy)phenyl]-4-chloro-5-difluoromethoxypyrazole (129630-19-9)

Conditions	Yield
Multi-step reaction with 4 steps 1.1: methanol / 1 h / 40 °C 2.1: hydrogenchloride / ethanol; water / 2 h / 60 °C 2.2: 2 h / 60 - 80 °C 3.1: tetrabutyl-ammonium chloride; sodium hydroxide / acetonitrile / 5 h / 20 °C 4.1: acetic acid; sulfuryl dichloride / chlorobenzene / 1 h / 40 °C 4.2: 9 h / 100 °C View Scheme

3-{4-chloro-2-fluoro-5-(N-methylcarbamoylmethoxy)phenyl}-1-methylpyrazol-5-ol → 1-methyl-3-[2-fluoro-4-chloro-5-(ethoxycarbonylmethoxy)phenyl]-4-chloro-5-difluoromethoxypyrazole (129630-19-9)

Conditions	Yield
Multi-step reaction with 2 steps 1.1: tetrabutyl-ammonium chloride; sodium hydroxide / acetonitrile / 5 h / 20 °C 2.1: acetic acid; sulfuryl dichloride / chlorobenzene / 1 h / 40 °C 2.2: 9 h / 100 °C View Scheme

5-bromo-2-chloro-4-fluorophenyl methyl carbonate (146447-08-7) → 1-methyl-3-[2-fluoro-4-chloro-5-(ethoxycarbonylmethoxy)phenyl]-4-chloro-5-difluoromethoxypyrazole (129630-19-9)

Conditions	Yield
Multi-step reaction with 7 steps 1.1: sodium hydroxide / ethanol / 10 h / 20 °C 2.1: tetrabutylammomium bromide; palladium diacetate; sodium hydrogencarbonate / N,N-dimethyl-formamide / 4 h / 120 °C / Inert atmosphere 3.1: bromine / chlorobenzene / 1 h / 50 °C 4.1: chlorobenzene; methanol / 1 h / 40 °C 5.1: hydrogenchloride / ethanol; water / 2 h / 60 °C 5.2: 2 h / 60 - 80 °C 6.1: tetrabutyl-ammonium chloride; sodium hydroxide / acetonitrile / 5 h / 20 °C 7.1: acetic acid; sulfuryl dichloride / chlorobenzene / 1 h / 40 °C 7.2: 9 h / 100 °C View Scheme
Multi-step reaction with 8 steps 1.1: sodium hydroxide / ethanol / 10 h / 20 °C 2.1: tetrabutylammomium bromide; palladium diacetate; sodium hydrogencarbonate / N,N-dimethyl-formamide / 4 h / 120 °C / Inert atmosphere 3.1: bromine / chlorobenzene / 1 h / 50 °C 4.1: triethylamine / chlorobenzene / 1.5 h / 40 - 70 °C 5.1: methanol / 1 h / 40 °C 6.1: hydrogenchloride / ethanol; water / 2 h / 60 °C 6.2: 2 h / 60 - 80 °C 7.1: tetrabutyl-ammonium chloride; sodium hydroxide / acetonitrile / 5 h / 20 °C 8.1: acetic acid; sulfuryl dichloride / chlorobenzene / 1 h / 40 °C 8.2: 9 h / 100 °C View Scheme

N-methyl-(5-bromo-2-chloro-4-fluorophenoxy)acetic acid amide → 1-methyl-3-[2-fluoro-4-chloro-5-(ethoxycarbonylmethoxy)phenyl]-4-chloro-5-difluoromethoxypyrazole (129630-19-9)

Conditions	Yield
Multi-step reaction with 6 steps 1.1: tetrabutylammomium bromide; palladium diacetate; sodium hydrogencarbonate / N,N-dimethyl-formamide / 4 h / 120 °C / Inert atmosphere 2.1: bromine / chlorobenzene / 1 h / 50 °C 3.1: chlorobenzene; methanol / 1 h / 40 °C 4.1: hydrogenchloride / ethanol; water / 2 h / 60 °C 4.2: 2 h / 60 - 80 °C 5.1: tetrabutyl-ammonium chloride; sodium hydroxide / acetonitrile / 5 h / 20 °C 6.1: acetic acid; sulfuryl dichloride / chlorobenzene / 1 h / 40 °C 6.2: 9 h / 100 °C View Scheme
Multi-step reaction with 7 steps 1.1: tetrabutylammomium bromide; palladium diacetate; sodium hydrogencarbonate / N,N-dimethyl-formamide / 4 h / 120 °C / Inert atmosphere 2.1: bromine / chlorobenzene / 1 h / 50 °C 3.1: triethylamine / chlorobenzene / 1.5 h / 40 - 70 °C 4.1: methanol / 1 h / 40 °C 5.1: hydrogenchloride / ethanol; water / 2 h / 60 °C 5.2: 2 h / 60 - 80 °C 6.1: tetrabutyl-ammonium chloride; sodium hydroxide / acetonitrile / 5 h / 20 °C 7.1: acetic acid; sulfuryl dichloride / chlorobenzene / 1 h / 40 °C 7.2: 9 h / 100 °C View Scheme

Upstream product

• 64-17-5 ethanol 
• 146447-08-7 5-bromo-2-chloro-4-fluorophenyl methyl carbonate 

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