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623950-02-7

623950-02-7 Structure

623950-02-7 Structure
IdentificationBack Directory
[Name]

4-(Aminocarbonyl)-N-[(1,1-dimethylethoxy)carbonyl]-2,6-dimethyl-L-phenylalanine
[CAS]

623950-02-7
[Synonyms]

EOS-61912
Eluxadoline int1
Eluxadoline Intermediate 2
L-Phenylalanine propionic acid
4-(aminocarbonyl)-N-[(1,1-dimethylethoxy)
4'-Carbamoyl N-Boc-2',6'-dimethyl-L-Phenylalanine
4-(Aminocarbonyl)-N-Boc-2,6-dimethyl-L-phenylalanine
4-(Aminocarbonyl)-N-[(1,1-dimethylethoxy)carbonyl]-2,6-dimet...
(S)-2-(Boc-Amino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoic Acid
(S)-2-(N-BOC-amino)-3-(4-formamido-2,6-dimethylphenyl)propanoic acid
4-(Aminocarbonyl)-N-[(1,1-dimethylethoxy)carbonyl]-2,6-dimethyl-L-phenylalanine
(S)-2-(tert-butoxycarbonylaMino)-3-(4-carbaMoyl-2,6-diMethylphenyl)propanoic aci
L-Phenylalanine, 4-(aminocarbonyl)-N-[(1,1-dimethylethoxy)carbonyl]-2,6-dimethyl-
(s)-2-(tert-butoxycarbonylaMino)-3-(4-carbaMoyl-2,6-diMethylphenyl)propanoic acid
(S)-2-tert-Butoxycarbonylamino-3-(4-carbamoyl-2,6-dimethyl-phenyl)-propionic acid
4-(Aminocarbonyl)-N-[(1,1-dimethylethoxy)carbonyl]-2,6-dimethyl-L-phenylalanine###NA
(2S)-2{[(tert-butoxy)carbonyl]amino}-3-(4-carbamoyl-2,6-dimethylphenyl)propanoic acid
Eluxadoline: 4-(Aminocarbonyl)-N-[(1,1-dimethylethoxy)carbonyl]-2,6-dimethyl-L-phenylalanine
(S,E)-2-((tert-butoxy(hydroxy)methylene)amino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoic acid
(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
[EINECS(EC#)]

633-600-1
[Molecular Formula]

C17H24N2O5
[MDL Number]

MFCD20528368
[MOL File]

623950-02-7.mol
[Molecular Weight]

336.38
Chemical PropertiesBack Directory
[Melting point ]

>210℃
[Boiling point ]

497.1±45.0 °C(Predicted)
[density ]

1.201
[storage temp. ]

Sealed in dry,2-8°C
[form ]

Solid
[pka]

3.88±0.17(Predicted)
[color ]

White to off-white
[InChI]

InChI=1S/C17H24N2O5/c1-9-6-11(14(18)20)7-10(2)12(9)8-13(15(21)22)19-16(23)24-17(3,4)5/h6-7,13H,8H2,1-5H3,(H2,18,20)(H,19,23)(H,21,22)/t13-/m0/s1
[InChIKey]

ZLUHLTMMROGKKD-ZDUSSCGKSA-N
[SMILES]

C(O)(=O)[C@H](CC1=C(C)C=C(C(N)=O)C=C1C)NC(OC(C)(C)C)=O
[CAS DataBase Reference]

623950-02-7
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H312-H315-H319
[Precautionary statements ]

P280-P305+P351+P338
Hazard InformationBack Directory
[Description]

4-(Aminocarbonyl)-N-[(1,1-dimethylethoxy)carbonyl]-2,6-dimethyl-L-phenylalanine is a phenylalanine derivative. It is mainly used as a pharmaceutical intermediate component in the preparation of opioid modulators and eluxadoline.
[Uses]

4-(Aminocarbonyl)-N-[(1,1-dimethylethoxy)carbonyl]-2,6-dimethyl-L-phenylalanine is an intermediate used to prepare potential Dual delta-opioid antagonist/μ-opioid agonist used in the treatment of diarrhea. Irritable bowel syndrome.
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