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308831-94-9

308831-94-9 Structure

308831-94-9 Structure
IdentificationBack Directory
[Name]

ethyl 2-((2,6-difluorobenzyl)(ethoxycarbonyl)amino)-4-methyl-5-(4-nitrophenyl)thiophene-3-carboxylate
[CAS]

308831-94-9
[Synonyms]

RELU-004
TAK-385 int
TubePharm4tm
RELUGOLIX INT
Relugolix Intermediate
Relugolix intermediate2
ethyl 2-((2,6-difluorobenzyl)(ethoxycarbonyl)amino)-4-methyl-5-(4-nitrophenyl)t
Ethyl2-((2,6-difluorobenzy)(ethoxycarbony)amino)-4-methyl-5-(4-nitropheny)thiophene-3-carboxylate
ETHYL 2-((2,6-DIFLUOROBENZYL)(ETHOXYCARBONYL)AMINO)-4-METHYL-5-(4-NITROPHENYL)THIOPHENE-3-CARBOXYLAT
ETHYL 2-((2,6-DIFLUOROBENZYL)(ETHOXYCARBONYL)AMINO)-4-METHYL-5-(4-NITROPHENYL)THIOPHENE-3-CARBOXYLA
ethyl 2-((2,6-difluorobenzyl)(ethoxycarbonyl)amino)-4-methyl-5-(4-nitrophenyl)thiophene-3-carboxylate
ethyl 2-[N-(2,6-difluorobenzyl)-N-ethoxycarbonylamino]-4-methyl-5-(4-nitrophenyl)thiophene-3-carboxylate
2-[[(2,6-difluorophenyl)methyl](ethoxycarbonyl)amino]-4-methyl-5-(4-nitrophenyl)-3-Thiophenecarboxylic acid
2-[[(2,6-difluorophenyl)methyl](ethoxycarbonyl)amino]-4-methyl-5-(4-nitrophenyl)-3-Thiophenecarboxylic acid, ethyl ester
ethyl 2-((2,6-difluorobenzyl)(ethoxycarbonyl)amino)-4-methyl-5-(4-nitrophenyl)thiophene-3-carboxylate ISO 9001:2015 REACH
3-Thiophenecarboxylic acid, 2-[[(2,6-difluorophenyl)methyl](ethoxycarbonyl)amino]-4-methyl-5-(4-nitrophenyl)-, ethyl ester
[EINECS(EC#)]

840-148-0
[Molecular Formula]

C24H22F2N2O6S
[MDL Number]

MFCD31806862
[MOL File]

308831-94-9.mol
[Molecular Weight]

504.503
Chemical PropertiesBack Directory
[Boiling point ]

623.4±55.0 °C(Predicted)
[density ]

1.362±0.06 g/cm3(Predicted)
[storage temp. ]

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

-3.20±0.50(Predicted)
[Appearance]

Light yellow to yellow Solid
[InChI]

InChI=1S/C24H22F2N2O6S/c1-4-33-23(29)20-14(3)21(15-9-11-16(12-10-15)28(31)32)35-22(20)27(24(30)34-5-2)13-17-18(25)7-6-8-19(17)26/h6-12H,4-5,13H2,1-3H3
[InChIKey]

VEQKKZQAOCWPKO-UHFFFAOYSA-N
[SMILES]

C1(N(CC2=C(F)C=CC=C2F)C(OCC)=O)SC(C2=CC=C([N+]([O-])=O)C=C2)=C(C)C=1C(OCC)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS07,GHS08
[Signal word ]

Danger
[Hazard statements ]

H302-H315-H319-H335-H350
[Precautionary statements ]

P201-P202-P261-P281-P305+P351+P338-P308+P313
[REACH Registrations]

Active
Questions And AnswerBack Directory
[Application]

Ethyl 2-((2,6-difluorobenzyl)(ethoxycarbonyl)amino)-4-methyl-5-(4-nitrophenyl)thiophene-3-carboxylic acid can be used as an organic synthesis intermediate and a pharmaceutical intermediate, mainly in laboratory research and development processes and chemical and pharmaceutical synthesis processes.
Spectrum DetailBack Directory
[Spectrum Detail]

ethyl 2-((2,6-difluorobenzyl)(ethoxycarbonyl)amino)-4-methyl-5-(4-nitrophenyl)thiophene-3-carboxylate(308831-94-9)1HNMR
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