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Cas Database |
| Name |
(2R,4R)-4-Methylpiperidine-2-carboxylic acid |
EINECS | 1312995-182-4 |
| CAS No. | 74892-81-2 | Density | 1.062 g/cm3 |
| PSA | 49.33000 | LogP | 0.78790 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C7H13NO2 | Boiling Point | 267 °C at 760 mmHg |
| Molecular Weight | 143.186 | Flash Point | 115.3 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Piperidinecarboxylicacid, 4-methyl-, (2R-trans)-;(2R,4R)-4-Methyl-2-piperidinecarboxylic acid;2-Piperidinecarboxylic acid, 4-methyl-, (2R,4R)-;2-carboxy-4-methylpiperidine; |
Article Data | 8 |
(2R,4R)-4-Methylpiperidine-2-carboxylic acid Synthetic route
- 74892-81-2
(2R-trans)-4-Methyl-2-piperidinecarboxylic acid
| Conditions | Yield |
|---|---|
| With hydrogen; palladium dihydroxide In ethanol | 98% |
| With hydrogen; palladium dihydroxide In ethanol for 2h; | 98% |
- 74892-81-2
(2R-trans)-4-Methyl-2-piperidinecarboxylic acid
| Conditions | Yield |
|---|---|
| Stage #1: C22H25NO2 With hydrogen; [Rh(NBD)(PPh3)2]PF6 In ethanol at 50℃; under 760.051 Torr; for 4h; Stage #2: With palladium hydroxide, 20 wt% on carbon; hydrogen In ethanol; water at 23℃; under 760.051 Torr; for 5h; | 86% |
- 74892-81-2
(2R-trans)-4-Methyl-2-piperidinecarboxylic acid
| Conditions | Yield |
|---|---|
| With potassium borohydride In water at 1 - 60℃; for 3.5h; | 83.1% |
- 154002-73-0
(2R,4R)-N-(tert-butoxycarbonyl)-4-methylpipecolic acid
- 74892-81-2
(2R-trans)-4-Methyl-2-piperidinecarboxylic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride In methanol at 20℃; for 2h; | 74% |
- 74892-81-2
(2R-trans)-4-Methyl-2-piperidinecarboxylic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 7 steps 1: NaHCO3 / methanol / 16 h / 60 °C 2: NaIO4 / tetrahydrofuran; H2O / 2 h / 20 °C 3: 27 g / NaBH4 / methanol / 0.5 h / 0 °C 4: 79 percent / 1st generation Grubbs catalyst / CH2Cl2 / 16 h / 20 °C 5: H2 / PtO2*H2O / ethyl acetate / 16 h / 2250.23 Torr 6: 63 percent / NaClO; NaClO2; sodoum phosphate buffer / TEMPO; bleach / acetonitrile; H2O / 18 h / 35 °C / pH 6.7 7: 74 percent / aq. HCl / methanol / 2 h / 20 °C View Scheme |
- 74892-81-2
(2R-trans)-4-Methyl-2-piperidinecarboxylic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 6 steps 1: NaIO4 / tetrahydrofuran; H2O / 2 h / 20 °C 2: 27 g / NaBH4 / methanol / 0.5 h / 0 °C 3: 79 percent / 1st generation Grubbs catalyst / CH2Cl2 / 16 h / 20 °C 4: H2 / PtO2*H2O / ethyl acetate / 16 h / 2250.23 Torr 5: 63 percent / NaClO; NaClO2; sodoum phosphate buffer / TEMPO; bleach / acetonitrile; H2O / 18 h / 35 °C / pH 6.7 6: 74 percent / aq. HCl / methanol / 2 h / 20 °C View Scheme |
- 74892-81-2
(2R-trans)-4-Methyl-2-piperidinecarboxylic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 5 steps 1: 27 g / NaBH4 / methanol / 0.5 h / 0 °C 2: 79 percent / 1st generation Grubbs catalyst / CH2Cl2 / 16 h / 20 °C 3: H2 / PtO2*H2O / ethyl acetate / 16 h / 2250.23 Torr 4: 63 percent / NaClO; NaClO2; sodoum phosphate buffer / TEMPO; bleach / acetonitrile; H2O / 18 h / 35 °C / pH 6.7 5: 74 percent / aq. HCl / methanol / 2 h / 20 °C View Scheme |
- 954379-06-7
(2R)-N-allyl-N-(tert-butoxycarbonyl)-2-amino-4-methyl-4-penten-1-ol
- 74892-81-2
(2R-trans)-4-Methyl-2-piperidinecarboxylic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: 79 percent / 1st generation Grubbs catalyst / CH2Cl2 / 16 h / 20 °C 2: H2 / PtO2*H2O / ethyl acetate / 16 h / 2250.23 Torr 3: 63 percent / NaClO; NaClO2; sodoum phosphate buffer / TEMPO; bleach / acetonitrile; H2O / 18 h / 35 °C / pH 6.7 4: 74 percent / aq. HCl / methanol / 2 h / 20 °C View Scheme |
- 954379-07-8
(N-(tert-butoxycarbonyl)-(6R)-1,2,3,6-tetrahydro-4-methylpyridine-2-yl)methanol
- 74892-81-2
(2R-trans)-4-Methyl-2-piperidinecarboxylic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: H2 / PtO2*H2O / ethyl acetate / 16 h / 2250.23 Torr 2: 63 percent / NaClO; NaClO2; sodoum phosphate buffer / TEMPO; bleach / acetonitrile; H2O / 18 h / 35 °C / pH 6.7 3: 74 percent / aq. HCl / methanol / 2 h / 20 °C View Scheme |
- 173369-02-3
(N-(tert-butoxycarbonyl)-(2R,4R)-4-methylpiperidine-2-yl)methanol
- 74892-81-2
(2R-trans)-4-Methyl-2-piperidinecarboxylic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 63 percent / NaClO; NaClO2; sodoum phosphate buffer / TEMPO; bleach / acetonitrile; H2O / 18 h / 35 °C / pH 6.7 2: 74 percent / aq. HCl / methanol / 2 h / 20 °C View Scheme |
(2R,4R)-4-Methylpiperidine-2-carboxylic acid Specification
This chemical is an organic compound with the formula C7H13NO2. The systematic name of it is (2R,4R)-4-methylpiperidine-2-carboxylic acid. With the CAS registry number 74892-81-2, it is also called 2-Piperidinecarboxylic acid, 4-methyl-, (2R,4R)-. In addition, this hcemical should be stored in the dry and cool environment. And the molecular weight is 143.18.
The other characteristics of (2R,4R)-4-Methylpiperidine-2-carboxylic acid can be summarized as: (1)ACD/LogP: 0.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.01; (4)ACD/LogD (pH 7.4): -2.01; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.464; (14)Molar Refractivity: 37.22 cm3; (15)Molar Volume: 134.7 cm3; (16)Polarizability: 14.75×10-24cm3; (17)Surface Tension: 34.7 dyne/cm; (18)Density: 1.062 g/cm3; (19)Flash Point: 115.3 °C; (20)Enthalpy of Vaporization: 55.59 kJ/mol; (21)Boiling Point: 267 °C at 760 mmHg; (22)Vapour Pressure: 0.0024 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C(O)[C@@H]1NCC[C@@H](C)C1
2. InChI:InChI=1/C7H13NO2/c1-5-2-3-8-6(4-5)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6-/m1/s1
3. InChIKey:UQHCHLWYGMSPJC-PHDIDXHHBC
4. Std. InChI:InChI=1S/C7H13NO2/c1-5-2-3-8-6(4-5)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6-/m1/s1
5. Std. InChIKey:UQHCHLWYGMSPJC-PHDIDXHHSA-N
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