ChemicalBook--->CAS DataBase List--->25341-42-8

25341-42-8

25341-42-8 Structure

25341-42-8 Structure
IdentificationBack Directory
[Name]

Z-3-CYCLOHEXYL-L-ALANINE
[CAS]

25341-42-8
[Synonyms]

Z-CHA-OH
Z-L-Cha-OH
Cbz-L-CHA-OH
Z-Cha-OH (Syrup)
Z-L-CYCLOHEXYLALANINE
CBZ-L-CYCLOHEXYLALANINE
Z-3-CYCLOHEXYL-L-ALANINE
Z-BETA-CYCLOHEXYLALANINE
Z-β-cyclohexyl-L-alanine
Z-β-cyclohexyl-L-alanine
Cbz-3-cyclohexyl-L-alanine
Cbz-L-3-Cyclohexyl Alanine
N-Cbz-3-cyclohexyl-L-alanine
Z-3-CYCLOHEXYL-L-ALANINE USP/EP/BP
Z-β-cyclohexyl-L-alanine≥ 98% (HPLC)
N-Benzyloxycarbonyl-L-3-cyclohexylalanine
(S)-N-(Benzyloxycarbonyl)cyclohexylalanine
(S)-2-benzyloxycarbonylaMino-3-cyclohexylpropionic acid
(S)-2-(benzyloxycarbonylamino)-3-cyclohexylpropanoic acid
(2S)-[(Benzyloxycarbonyl)amino]-3-cyclohexylpropionic acid
(2S)-3-cyclohexyl-2-(phenylmethoxycarbonylamino)propanoicaci
(2S)-2-{[(benzyloxy)carbonyl]aMino}-3-cyclohexylpropanoic acid
(2S)-3-cyclohexyl-2-(phenylmethoxycarbonylamino)propanoic acid
Cyclohexanepropanoicacid, a-[[(phenylmethoxy)carbonyl]amino]-, (aS)-
Cyclohexanepropanoic acid, α-[[(phenylmethoxy)carbonyl]amino]-, (αS)-
[Molecular Formula]

C17H23NO4
[MDL Number]

MFCD00191081
[MOL File]

25341-42-8.mol
[Molecular Weight]

305.37
Chemical PropertiesBack Directory
[Boiling point ]

501.4±43.0 °C(Predicted)
[density ]

1.167
[storage temp. ]

2-8°C
[pka]

4.00±0.10(Predicted)
[Appearance]

Colorless to light yellow Oil
[Optical Rotation]

Consistent with structure
[InChI]

InChI=1/C17H23NO4/c19-16(20)15(11-13-7-3-1-4-8-13)18-17(21)22-12-14-9-5-2-6-10-14/h2,5-6,9-10,13,15H,1,3-4,7-8,11-12H2,(H,18,21)(H,19,20)/t15-/s3
[InChIKey]

MNABZONTQXNLDT-UJHUVDBMNA-N
[SMILES]

[C@H](C(=O)O)(NC(=O)OCC1=CC=CC=C1)CC1CCCCC1 |&1:0,r|
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
[WGK Germany ]

3
Hazard InformationBack Directory
[Chemical Properties]

Transparent, yellow oil
[Synthesis]

L-Cyclohexylalanine

27527-05-5

Benzyl chloroformate

501-53-1

Z-3-CYCLOHEXYL-L-ALANINE

25341-42-8

General procedure: to a solution of (S)-2-amino-3-cyclohexylpropionic acid (10 g, 58.4 mmol) in THF/H2O (1:1, 292 ml) was added benzyl chloroformate (9.93 g, 58.4 mmol) and K2CO3 (9.67 g, 70.09 mmol). The reaction mixture was stirred at 0 °C for 0.5 h, followed by stirring at room temperature overnight. After completion of the reaction, the reaction mixture was diluted with EtOAc (200 ml) and the pH was adjusted to about 2 with 6N HCl. The organic layer was separated, washed with brine, dried over MgSO4, filtered and concentrated to give the solid product (S)-2-(((benzyloxy)carbonyl)amino)-3-cyclohexylpropanoic acid in 95% yield (17 g). Results of mass spectrometry analysis: MS (m/z): 306 (M + H).

[References]

[1] Patent: WO2006/29210, 2006, A2. Location in patent: Page/Page column 47
Spectrum DetailBack Directory
[Spectrum Detail]

Z-3-CYCLOHEXYL-L-ALANINE(25341-42-8)1HNMR
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