ChemicalBook--->CAS DataBase List--->5845-66-9

5845-66-9

5845-66-9 Structure

5845-66-9 Structure
IdentificationBack Directory
[Name]

3-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
[CAS]

5845-66-9
[Synonyms]

Cyclo(-Gln-Tyr)
Tryptophan Impurity 37
Cyclo(L-tyrosylglycine)
Cyclic(glycyl-L-tyrosyl)
Cyclic (glycyl-L-tyrosine)
3-(4-hydroxybenzyl)piperazine-2,5-dione
(S)-3-(4-hydroxybenzyl)piperazine-2,5-dione
3-(S)-(4-Hydroxybenzyl)piperazine-2,5-dione
3-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
3-((4-Hydroxyphenyl)methyl)-2,5-piperazinedione
2,5-Piperazinedione, 3-[(4-hydroxyphenyl)methyl]-, (3S)-
Levothyroxine Related Compound 1 (N-Acetyl-3,5-Diiodo-L-Tyrosine)
[Molecular Formula]

C11H12N2O3
[MDL Number]

MFCD18974563
[MOL File]

5845-66-9.mol
[Molecular Weight]

220.22
Chemical PropertiesBack Directory
[Melting point ]

240℃
[Boiling point ]

623.1±45.0 °C(Predicted)
[density ]

1.308
[storage temp. ]

4°C, protect from light
[solubility ]

DMSO : 31.25 mg/mL (141.90 mM; Need ultrasonic)
[form ]

Solid
[pka]

9.90±0.15(Predicted)
[color ]

White to Off-White
[Sequence]

Cyclo(Gly-Tyr)
[InChI]

InChI=1S/C11H12N2O3/c14-8-3-1-7(2-4-8)5-9-11(16)12-6-10(15)13-9/h1-4,9,14H,5-6H2,(H,12,16)(H,13,15)/t9-/m0/s1
[InChIKey]

QHLSAVHDWSYPEP-VIFPVBQESA-N
[SMILES]

N1CC(=O)N[C@@H](CC2=CC=C(O)C=C2)C1=O
Hazard InformationBack Directory
[Uses]

Cyclo(-Gly-Tyr) is used to prepare aryl-fused benzodiazepine D2 receptor antagonists as antipsychotics.
[storage]

4°C, protect from light
Spectrum DetailBack Directory
[Spectrum Detail]

3-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione(5845-66-9)1HNMR
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