CAS No.71486-53-8,METHYL 4-OXO-3-PIPERIDINECARBOXYLATE HYDROCHLORIDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	71486-53-8
Name:	METHYL 4-OXO-3-PIPERIDINECARBOXYLATE HYDROCHLORIDE
Article Data:	2

Formula:	C₇H₁₁NO₃^.HCl
Molecular Weight:	193.63
Synonyms:	3-Piperidinecarboxylicacid, 4-oxo-, methyl ester, hydrochloride (9CI);3-(Methoxycarbonyl)-4-piperidonehydrochloride;
EINECS:	275-526-9
Melting Point:	~175 °C
Boiling Point:	249.4 °C at 760 mmHg
Flash Point:	104.6 °C
Appearance:	white or cream-colored powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	55.40000
LogP:	0.46880

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Specification

The 3-Piperidinecarboxylicacid, 4-oxo-, methyl ester, hydrochloride (1:1), with the CAS registry number 71486-53-8, is also known as 3-(Methoxycarbonyl)piperidin-4-one hydrochloride. Its EINECS number is 275-526-9. It should be sealed and stored in a cool and dry place, away from the oxidants. What's more, it's used as pharmaceutical intermediates.

Physical properties of 3-Piperidinecarboxylicacid, 4-oxo-, methyl ester, hydrochloride (1:1) are: (1)ACD/LogP: -0.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.76; (4)ACD/LogD (pH 7.4): -1.08; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 3.64; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 46.61 Å²; (12)Surface Tension: dyne/cm; (13)Flash Point: 104.6 °C; (14)Enthalpy of Vaporization: 48.66 kJ/mol; (15)Boiling Point: 249.4 °C at 760 mmHg; (16)Vapour Pressure: 0.023 mmHg at 25°C.

Preparation of this chemical: The 3-Piperidinecarboxylicacid, 4-oxo-, methyl ester, hydrochloride (1:1) can be prepared by methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride. This reaction will need reagent hydrogen and solvent aq. acetic acid. This reaction will also need catalyst 10 % Pd/C. The yield is about 83 %.

The 3-Piperidinecarboxylicacid, 4-oxo-, methyl ester, hydrochloride (1:1) can be prepared by methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride

Uses of this chemical: The 3-Piperidinecarboxylicacid, 4-oxo-, methyl ester, hydrochloride (1:1) can be used to produce Dimethyl-4-oxo-1,3-piperidindicarboxylat. It will need reagent aq. NaHCO₃ and solvent diethyl ether with the reaction time of 30 min. The yield is about 100 %.

The 3-Piperidinecarboxylicacid, 4-oxo-, methyl ester, hydrochloride (1:1) can be used to produce Dimethyl-4-oxo-1,3-piperidindicarboxylat

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O=C1CCNCC1C(=O)OC.Cl
2.InChI: InChI=1/C7H11NO3.ClH/c1-11-7(10)5-4-8-3-2-6(5)9;/h5,8H,2-4H2,1H3;1H
3.InChIKey: NMAACQILAGCQPR-UHFFFAOYAH