Purity | Size | Price | VIP Price | USA Stock *0-1 Day | Global Stock *5-7 Days | Quantity | |||||
{[ item.p_purity ]} | {[ item.pr_size ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} | Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]} | {[ item.pr_usastock ]} | Inquiry - | {[ item.pr_chinastock ]} | Inquiry - |
* Storage: {[proInfo.prStorage]}
CAS No. : | 31140-42-8 | MDL No. : | MFCD08275101 |
Formula : | C10H16N2O4 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | TUGRLMXVKASPTN-UHFFFAOYSA-N |
M.W : | 228.25 | Pubchem ID : | 11310728 |
Synonyms : |
|
Num. heavy atoms : | 16 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 0.7 |
Num. rotatable bonds : | 4 |
Num. H-bond acceptors : | 4.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 59.7 |
TPSA : | 84.5 Ų |
GI absorption : | High |
BBB permeant : | No |
P-gp substrate : | No |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -7.59 cm/s |
Log Po/w (iLOGP) : | 1.55 |
Log Po/w (XLOGP3) : | 0.15 |
Log Po/w (WLOGP) : | -0.06 |
Log Po/w (MLOGP) : | 0.23 |
Log Po/w (SILICOS-IT) : | 0.27 |
Consensus Log Po/w : | 0.43 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -1.09 |
Solubility : | 18.7 mg/ml ; 0.0821 mol/l |
Class : | Very soluble |
Log S (Ali) : | -1.48 |
Solubility : | 7.53 mg/ml ; 0.033 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -1.83 |
Solubility : | 3.41 mg/ml ; 0.0149 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.69 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P280-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H332-H335 | Packing Group: | N/A |
GHS Pictogram: |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
45% | With 1,1'-carbonyldiimidazole In tetrahydrofuran for 9 - 16 h; Heating / reflux | A solution OF N-(T-BUTOXYCARBONYL)-L-GLUTAMINE (4.92 g) and carbonyl diimidazole (1.70 g) in THF (100 mL) was refluxed for 9 h. The solvent was removed and the crude product was recrystallized from hot EtOAc to give compound 3 (2.04 g, 45percent) as white crystals: mp 214-215°C ; IH NMR (DMSO-d6) 5 4.22 (dd, J = 6.2 Hz, J = 11.0 Hz, 1H), 2.77-2. 65 (m, 1H), 2,45 (m, 1 H), 1.96-1. 87 (m, 2H), 1. 40 (s, 9H) ; MS (CI/CH4) 227 [M-1] +. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
87% | Stage #1: With triethylamine In dichloromethane at 50℃; for 0.5 h; Sealed tube; Microwave irradiation Stage #2: at 0℃; for 0.5 h; |
A mixture of 3-aminopiperidine-2,6- dione hydrochloride (500 mg, 3.04 mmol) and triethylamine (931 µL, 6.68 mmol) in DCM (3 mL) was heated in a sealed 20 mL microwave vial at 50 °C for 30 min. The mixture was cooled to 0 °C and di-tert-butyl dicarbonate (663 mg, 3.04 mmol) in DCM (1 mL) was added via syringe, and stirring at 0 °C was continued for a further 30 min. The mixture was concentrated under vacuum and ethyl acetate (200 mL) added. The resulting mixture was washed with NaHCO3 (100 mL, sat. aq.), brine (50 mL), dried (Na2SO4) and concentrated under vacuum. Trituration of the residue with ethyl acetate/hexanes gave pure product (601 mg, 87percent) as a yellow solid. 1H NMR (400 MHz, DMSO-d6) δ 10.73 (s, 1H), 7.12 (d, J = 8.7 Hz, 1H), 4.20 (ddd, J = 11.5, 8.7, 6.2 Hz, 1H), 2.69 (ddd, J = 17.2, 12.3, 6.5 Hz, 1H), 2.49–2.40 (m, 1H, overlapped with the residual DMSO signal), 1.99–1.81 (m, 2H), 1.38 (s, 9H). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
64% | With dmap; 1,1'-carbonyldiimidazole In tetrahydrofuran for 48 h; Reflux | N-Boc--glutamine methyl ester (I) 260g (1mol) was dissolved in 3L of dry THF was added CDI (N, N- carbonyl diimidazole) 300g, DMAP (4- dimethylaminopyridine) 10g, was heated under reflux for 48 hour.Spin dry tetrahydrofuran, was added 200ml water, 300ml of methyl tert-butyl ether and extracted twice successively with dilute acid, saturated sodium bicarbonate, saturated sodium chloride, dried over anhydrous sodium sulfate.Spin dry to give a white solid 200g, ethyl acetate / petroleum ether (30/70) was recrystallized 2-3 times to give a white solid 146g, 64percent yield. |
[ 92235-39-7 ]
(S)-tert-Butyl (2-oxopiperidin-3-yl)carbamate
Similarity: 0.98
[ 99780-98-0 ]
tert-Butyl (2-oxopiperidin-3-yl)carbamate
Similarity: 0.98
[ 221874-51-7 ]
(R)-tert-Butyl (2-oxopiperidin-3-yl)carbamate
Similarity: 0.98
[ 251938-49-5 ]
(R)-tert-Butyl (2-oxopyrrolidin-3-yl)carbamate
Similarity: 0.91
[ 92235-34-2 ]
(S)-tert-Butyl (2-oxopyrrolidin-3-yl)carbamate
Similarity: 0.91
[ 92235-39-7 ]
(S)-tert-Butyl (2-oxopiperidin-3-yl)carbamate
Similarity: 0.98
[ 99780-98-0 ]
tert-Butyl (2-oxopiperidin-3-yl)carbamate
Similarity: 0.98
[ 221874-51-7 ]
(R)-tert-Butyl (2-oxopiperidin-3-yl)carbamate
Similarity: 0.98
[ 251938-49-5 ]
(R)-tert-Butyl (2-oxopyrrolidin-3-yl)carbamate
Similarity: 0.91
[ 92235-34-2 ]
(S)-tert-Butyl (2-oxopyrrolidin-3-yl)carbamate
Similarity: 0.91
[ 92235-39-7 ]
(S)-tert-Butyl (2-oxopiperidin-3-yl)carbamate
Similarity: 0.98
[ 99780-98-0 ]
tert-Butyl (2-oxopiperidin-3-yl)carbamate
Similarity: 0.98
[ 221874-51-7 ]
(R)-tert-Butyl (2-oxopiperidin-3-yl)carbamate
Similarity: 0.98
[ 1221818-08-1 ]
tert-Butyl 1-oxo-2,6-diazaspiro[4.5]decane-6-carboxylate
Similarity: 0.83
[ 1150618-39-5 ]
tert-Butyl (6-methylpiperidin-3-yl)carbamate
Similarity: 0.80