CAS No.74892-81-2,(2R,4R)-4-Methylpiperidine-2-carboxylic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	74892-81-2
Name:	(2R,4R)-4-Methylpiperidine-2-carboxylic acid
Article Data:	8

Formula:	C₇H₁₃NO₂
Molecular Weight:	143.186
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;
EINECS:	1312995-182-4
Density:	1.062 g/cm³
Boiling Point:	267 °C at 760 mmHg
Flash Point:	115.3 °C
PSA:	49.33000
LogP:	0.78790

Synthetic route

: (4R,8R,10R)-8-methyl-4-phenylhexahydropyrido[2,1-c][1,4]oxazin-1-one

: 74892-81-2
(2R-trans)-4-Methyl-2-piperidinecarboxylic acid

Conditions

Conditions	Yield
With hydrogen; palladium dihydroxide In ethanol	98%
With hydrogen; palladium dihydroxide In ethanol for 2h;	98%

: C22H25NO2

: 74892-81-2
(2R-trans)-4-Methyl-2-piperidinecarboxylic acid

Conditions

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%

: (2R,4S)-2-amino-6-methoxy-4-methyl-6-oxohexanoic acid

: 74892-81-2
(2R-trans)-4-Methyl-2-piperidinecarboxylic acid

Conditions

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

Conditions	Yield
With hydrogenchloride In methanol at 20℃; for 2h;	74%

: C10H19NO2

: 74892-81-2
(2R-trans)-4-Methyl-2-piperidinecarboxylic acid

Conditions

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

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

: (2R,3R)-N-allyl-N-(tert-butoxycarbonyl)-3-amino-5-methyl-5-hexen-1,2-diol

: 74892-81-2
(2R-trans)-4-Methyl-2-piperidinecarboxylic acid

Conditions

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

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

: (+)-(2R)-N-allyl-N-(tert-butoxycarbonyl)-2-amino-4-methyl-4-pentenaldehyde

: 74892-81-2
(2R-trans)-4-Methyl-2-piperidinecarboxylic acid

Conditions

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

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

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

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

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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