CAS No.138163-08-3,4-FORMYL-N-CBZ-PIPERIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	138163-08-3
Name:	4-FORMYL-N-CBZ-PIPERIDINE
Article Data:	28

Formula:	C₁₄H₁₇NO₃
Molecular Weight:	247.294
Synonyms:	1-(Benzyloxycarbonyl)-4-piperidinecarboxaldehyde;1-Benzyloxycarbonyl-4-formylpiperidine;4-Formyl-N-Cbz-piperidine;4-Formylpiperidine-1-carboxylic acid benzyl ester;Benzyl4-formyl-1-piperidinecarboxylate;N-(Benzyloxycarbonyl)-4-formylpiperidine;N-Benzyloxycarbonylpiperidine-4-carboxaldehyde;Phenylmethyl4-formyl-1-piperidinecarboxylate;
Density:	1.221 g/cm³
Boiling Point:	384.5 °C at 760 mmHg
Flash Point:	186.3 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	46.61000
LogP:	2.17200

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Specification

The Benzyl 4-formyltetrahydro-1(2H)-pyridinecarboxylate, with the CAS registry number 138163-08-3, has the systematic name of benzyl 4-formylpiperidine-1-carboxylate. It belongs to the product categories of Carbonyl Compounds and Heterocycles. And the molecular formula of the chemical is C₁₄H₁₇NO₃.

The characteristics of Benzyl 4-formyltetrahydro-1(2H)-pyridinecarboxylate are as followings: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.79; (4)ACD/LogD (pH 7.4): 1.79; (5)ACD/BCF (pH 5.5): 13.4; (6)ACD/BCF (pH 7.4): 13.4; (7)ACD/KOC (pH 5.5): 223.11; (8)ACD/KOC (pH 7.4): 223.11; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 68.67 cm³; (15)Molar Volume: 202.4 cm³; (16)Polarizability: 27.22×10^-24cm³; (17)Surface Tension: 55.8 dyne/cm; (18)Density: 1.221 g/cm³; (19)Flash Point: 186.3 °C; (20)Enthalpy of Vaporization: 63.32 kJ/mol; (21)Boiling Point: 384.5 °C at 760 mmHg; (22)Vapour Pressure: 4.07E-06 mmHg at 25°C.

Preparation of Benzyl 4-formyltetrahydro-1(2H)-pyridinecarboxylate: This chemical can be prepared by 4-hydroxymethyl-piperidine-1-carboxylic acid benzyl ester. It is a kind of swern oxidation reaction, and the yield is about 100%.

Uses of Benzyl 4-formyltetrahydro-1(2H)-pyridinecarboxylate: It can react with but-3-en-2-one to produce 9-oxo-3-aza-spiro[5.5]undec-7-ene-3-carboxylic acid benzyl ester. This reaction will need reagent KOH, the menstruum ethanol, and heating. And the yield is about 92%.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCc1ccccc1)N2CCC(C=O)CC2
(2)InChI: InChI=1/C14H17NO3/c16-10-12-6-8-15(9-7-12)14(17)18-11-13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2
(3)InChIKey: ZJQMLJFHCKTCSF-UHFFFAOYAN