CAS No.154775-43-6,1-BOC-PIPERIDIN-4-YLPROPIONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	154775-43-6
Name:	1-BOC-PIPERIDIN-4-YLPROPIONIC ACID
Article Data:	23

Formula:	C₁₃H₂₃NO₄
Molecular Weight:	257.33
Synonyms:	1-tert-Butoxycarbonyl-4-piperidinepropionicacid;3-(1-tert-Butoxycarbonyl-4-piperidyl)propanoic acid;3-(1-tert-Butoxycarbonyl-4-piperidyl)propionic acid;3-(N-Boc-piperidin-4-yl)propionic acid;3-[1-(tert-Butoxycarbonyl)piperidin-4-yl]propanoic acid;3-[1-(tert-Butoxycarbonyl)piperidin-4-yl]propionic acid;3-[N-(tert-Butoxycarbonyl)-4-piperidinyl]propionic acid;4-(2-Carboxyethyl)piperidine-1-carboxylic acid tert-butyl ester;Boc-piperidine-4-propanoic acid;
Density:	1.102 g/cm³
Boiling Point:	386.4 °C at 760 mmHg
Flash Point:	187.5 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	66.84000
LogP:	2.43620

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Specification

The 4-Piperidinepropanoicacid, 1-[(1,1-dimethylethoxy)carbonyl]- is an organic compound with the formula C₁₃H₂₃NO₄. The IUPAC name of this chemical is 3-[1-[(2-Methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid. With the CAS registry number 154775-43-6, it is also named as 1-Boc-Piperidin-4-ylpropionic acid. The product's category is Pharmacetical. Besides, its molecular weight is 257.33.

Physical properties about 4-Piperidinepropanoicacid, 1-[(1,1-dimethylethoxy)carbonyl]- are: (1)ACD/LogP: 1.51; (2)ACD/LogD (pH 5.5): 0.7; (3)ACD/LogD (pH 7.4): -1.1; (4)ACD/BCF (pH 5.5): 1.27; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 24.3; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 55.84 Å²; (12)Index of Refraction: 1.485; (13)Molar Refractivity: 66.96 cm³; (14)Molar Volume: 233.4 cm³; (15)Polarizability: 26.54×10^-24 cm³; (16)Surface Tension: 40.6 dyne/cm; (17)Density: 1.102 g/cm³; (18)Flash Point: 187.5 °C; (19)Enthalpy of Vaporization: 69.74 kJ/mol; (20)Boiling Point: 386.4 °C at 760 mmHg; (21)Vapour Pressure: 4.83E-07 mmHg at 25 °C.

Preparation: this chemical can be prepared by 3-Piperidin-4-yl-propionic acid. This reaction will need reagent Et₃N and solvent dimethylformamide. The yield is about 90%.

Uses of 4-Piperidinepropanoicacid, 1-[(1,1-dimethylethoxy)carbonyl]-: it can be used to produce 2-[3-(1-Tert-butoxycarbonyl-piperidin-4-yl)-propionyl]-2,3-dihydro-1H-isoindole-5,6-dicarboxylic acid dimethyl ester at temperature of 25 °C. This reaction is a kind of Condensation. It will need reagents i-Pr₂NEt; EDCI and solvent dimethylformamide with reaction time of 16 hours. The yield is about 92%.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C13H23NO4/c1-13(2,3)18-12(17)14-8-6-10(7-9-14)4-5-11(15)16/h10H,4-9H2,1-3H3,(H,15,16)
(2)InChIKey: XWZDPNBLQJCKNC-UHFFFAOYAE
(3)Std. InChI: InChI=1S/C13H23NO4/c1-13(2,3)18-12(17)14-8-6-10(7-9-14)4-5-11(15)16/h10H,4-9H2,1-3H3,(H,15,16)
(4)Std. InChIKey: XWZDPNBLQJCKNC-UHFFFAOYSA-N