| Identification | More | [Name]
BOC-BETA-CYCLOHEXYL-ALA-OH | [CAS]
37736-82-6 | [Synonyms]
BOC-CHA-OH
BOC-L-CHA-OH
Boc-L-Cha-OH (Oil)
BOC-L-CYCLOHEXYLALANINE
Boc-β-cyclohexyl-ala-OH
Boc-b-cyclohexyl-Ala-OH
Boc-β-cyclohexyl-L-alanine
BOC-3-CYCLOHEXYL-L-ALANINE
BOC-BETA-CYCLOHEXYL-ALA-OH
BOC-L-3-Cyclohexyl Alanine
BOC-BETA-CYCLOHEXYL-ALANINE
Boc-(S)-3-Cyclohexylalanine
(Tert-Butoxy)Carbonyl Cha-OH
Boc-?-cyclohexyl-L-alanine99%
Boc-hexahydro-L-phenylalanine
BOC-BETA-CYCLOHEXYL-L-ALANINE
N-T-boc-B-cyclohexyl-L-alanine
BOC--Cyclohexyl Ala-OH hydrate
N-Boc-3-cyclohexyl-L-alanine, 98%
BOC-BETA-CYCLOHEXYL-ALA-OH USP/EP/BP
(S)-2-(Boc-amino)-3-cyclohexylpropionic Acid
NALPHA-tert-Butoxycarbonyl-3-cyclohexyl-L-alanine
N-(tert-butoxycarbonyl)-beta-cyclohexyl-L-alanine
Boc-Cha-OH hydrate >=99.0% (TLC), ~1 mol/mol water
(S)-N-alpha-t-Butyloxycarbonyl-3-(cyclohexyl)-alanine
(S)-2-TERT-BUTOXYCARBONYLAMINO-3-CYCLOHEXYL-PROPIONIC ACID
(S)-2-((tert-Butoxycarbonyl)amino)-3-cyclohexylpropanoicaci
(S)-N-alpha-t-Butyloxycarbonyl-3-(cyclohexyl)-alanine (oil)
(S)-2-((tert-Butoxycarbonyl)aMino)-3-cyclohexylpropanoic acid
(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-cyclohexylpropanoic acid
(S)-2-(Tert-butoxycarbonylaMino)-3-cyclohexylpropanoic acid hydrate
Boc-3-cyclohexyl-L-alanine hydrate, Boc-hexahydro-L-phenylalanine
Cyclohexanepropanoic acid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-,(aS)- | [EINECS(EC#)]
1308068-626-2 | [Molecular Formula]
C14H25NO4 | [MDL Number]
MFCD00076896 | [Molecular Weight]
271.35 | [MOL File]
37736-82-6.mol |
| Chemical Properties | Back Directory | [Appearance]
White crystalline powder | [Boiling point ]
420.4±28.0 °C(Predicted) | [density ]
1.083±0.06 g/cm3(Predicted) | [storage temp. ]
Store at RT. | [form ]
<40°C Solid,>42°C Liquid | [pka]
4.02±0.10(Predicted) | [Optical Rotation]
[α]20/D 15.5±1°, c = 2% in glacial acetic acid | [BRN ]
3060603 | [InChI]
InChI=1/C14H25NO4/c1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10/h10-11H,4-9H2,1-3H3,(H,15,18)(H,16,17)/t11-/s3 | [InChIKey]
MSZQAQJBXGTSHP-NSHDSACASA-N | [SMILES]
[C@H](C(=O)O)(NC(=O)OC(C)(C)C)CC1CCCCC1 |&1:0,r| | [CAS DataBase Reference]
37736-82-6(CAS DataBase Reference) |
| Hazard Information | Back Directory | [Chemical Properties]
White crystalline powder | [Uses]
It is an agrochemical, organic and pharmaceutical intermediates. | [Synthesis]
Step 2. Synthesis of (S)-2-((tert-butoxycarbonyl)amino)-3-cyclohexylpropionic acid. (S)-2-amino-3-cyclohexylpropanoic acid hydrochloride (118 g, 0.57 mol) was dissolved in 0.5 N NaOH aqueous solution (1200 mL), followed by the addition of a solution of tetrahydrofuran (THF, 600 mL) of di-tert-butyl dicarbonate (Boc2O, 137 g, 0.63 mol). The reaction mixture was stirred for 2 hours. After completion of the reaction, the organic solvent was removed under reduced pressure. The aqueous phase was washed with ether (Et2O, 2 x 400 mL) to remove unreacted feedstock. Subsequently, the aqueous phase was acidified to pH 5 with aqueous 2 N HCl. The acidified aqueous phase was extracted with ethyl acetate (EtOAc, 3 × 400 mL). The organic phases were combined, washed with saturated brine, dried over anhydrous sodium sulfate (Na2SO4) and concentrated under reduced pressure to give the title compound (S)-2-((tert-butoxycarbonyl)amino)-3-cyclohexylpropanoic acid (142 g, 92%) as an oil.1H NMR (CDCl3) δ: 0.92 (m, 1H), 1.09-1.30 (m, 3H), 1.48 (s, 9H), 1.51 (m, 1H), 1.52 (m, 1H), 1.66 (m, 5H), 1.78 (m, 1H), 4.32 (m, 1H), 4.88 (m, 1H), 8.55-9.48 (br s, 1H). | [References]
[1] Journal of Antibiotics, 1996, vol. 49, # 9, p. 909 - 920
[2] Patent: WO2007/117557, 2007, A2. Location in patent: Page/Page column 91
[3] Patent: US5756763, 1998, A |
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