ChemicalBook--->CAS DataBase List--->58194-26-6

58194-26-6

58194-26-6 Structure

58194-26-6 Structure
IdentificationBack Directory
[Name]

Tetraethyl ranelate
[CAS]

58194-26-6
[Synonyms]

10G/50G/5KGS
TETRAETHYL RANELATE
)-5-(ethoxycarbonyL
TETRAETHYL RANELATE 58194-26-6
INTERMEDIATE:STRONTIUMRANELATE
Intermediate of Strontium ranelate
2,2'-((3-cyano-4-(2-ethoxy-2-oxoethyL
Tetraethyl ranelate ISO 9001:2015 REACH
Diethyl 2,2'-((3-cyano-4-(2-ethoxy-2-oxoethyl)-5-(ethoxycarbonyl)thiophen-2-yl)azanediyl)diace
5-[Bis(2-ethoxy-2-oxoethyl)amino]-4-cyano-2-(ethoxycarbonyl)-3-thiopheneacetic acid ethyl ester
Diethyl 2,2'-(3-cyano-4-(2-ethoxy-2-oxoethyl)-5-(ethoxycarbonyl)thiophen-2-ylazanediyl)diacetate
Diethyl 2,2'-((3-cyano-4-(2-ethoxy-2-oxoethyl)-5-(ethoxycarbonyl)thiophen-2-yl)azanediyl)diacetat
3-Thiopheneacetic acid, 5-[bis(2-ethoxy-2-oxoethyl)amino]-4-cyano-2-(ethoxycarbonyl)-, ethyl ester
2-[N,N-di(ethoxycarbonylmethyl)amino]-3-cyano-4-ethoxycarbonylmethylthiophene-5-carboxylic acid ethyl ester
[EINECS(EC#)]

1806241-263-5
[Molecular Formula]

C20H26N2O8S
[MDL Number]

MFCD09839706
[MOL File]

58194-26-6.mol
[Molecular Weight]

454.49
Chemical PropertiesBack Directory
[Melting point ]

103-106 °C
[Boiling point ]

579.2±50.0 °C(Predicted)
[density ]

1.28
[storage temp. ]

Keep in dark place,Sealed in dry,2-8°C
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

-3.75±0.50(Predicted)
[color ]

White to Off-White
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Health Hazard (GHS08)Flame (GHS02)
GHS05,GHS08,GHS02
[Signal word ]

Danger
[Hazard statements ]

H314-H341-H226
[Precautionary statements ]

P501-P202-P240-P210-P233-P201-P243-P241-P242-P264-P280-P370+P378-P308+P313-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405
Hazard InformationBack Directory
[Synthesis]

Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate

58168-20-0

Ethyl bromoacetate

105-36-2

Tetraethyl ranelate

58194-26-6

(1) In a 20 liter autoclave, 1 kg ethyl 5-amino-4-cyano-3-(2-ethoxy-2-carboxymethyl)-2-thiophenecarboxylate, 12 liters of tetrahydrofuran, 1.92 kg potassium carbonate, 2.3 kg ethyl bromoacetate, and 20 grams of crown ether were added and heated to reflux, and the progress of the reaction was monitored by high-performance liquid chromatography (HPLC) (Fig. 9 shows the end of the reaction by HPLC). control plot), the reaction took about 3-4 hours to complete. After completion of the reaction, the mixture was filtered and the filtrate was concentrated by distillation under reduced pressure. Subsequently, 4 liters of ethanol were added and pulped under ice bath conditions for 3-4 hours and filtered again. The filter cake was washed with ice ethanol and finally dried in an oven at 45°C to obtain 1.25 kg of ethyl 5-[bis(2-ethoxy-2-carboxymethyl)amino-]-4-cyano-3-(2-ethoxy-2-carboxymethyl)-2-thiophene carboxylate in 91% yield and 99.86% purity.

[References]

[1] Patent: CN103804345, 2017, B. Location in patent: Paragraph 0044; 0047; 0050
[2] Heteroatom Chemistry, 2007, vol. 18, # 3, p. 236 - 238
[3] Patent: WO2011/124992, 2011, A1. Location in patent: Page/Page column 19-20
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