tert-Butyl 6-bromo-1'H,4H-spiro[1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate supplier

Name
Tert-Butyl6-bromo-4H-spiro[benzo[d][1,3]dioxine-2,4'-piperidine]-1'-carboxylate
EINECS
CAS No. 895525-73-2
Article Data2
CAS DataBase
Density 1.434 g/cm³
Solubility
Melting Point
Formula C₁₇H₂₂BrNO₄
Boiling Point 474.441 °C at 760 mmHg
Molecular Weight 384.27
Flash Point 240.734 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Tert-Butyl6-bromo-4H-spiro[benzo[d][1,3]dioxine-2,4'-piperidine]-1'-carboxylate;Spiro[4H-1,3-benzodioxin-2,4'-piperidine]-1'-carboxylic acid, 6-bromo-, 1,1-dimethylethyl ester
PSA 48.00000
LogP 4.02320

tert-Butyl 6-bromo-1'H,4H-spiro[1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate Specification

The systematic name of this chemical is tert-butyl 6-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate. With the CAS registry number 895525-73-2, it is also named as spiro[4H-1,3-benzodioxin-2,4'-piperidine]-1'-carboxylic acid, 6-bromo-, 1,1-dimethylethyl ester. And the formula of this product is C₁₇H₂₂BrNO₄. In addition, it must be sealed in the container and avoid direct sunshine.

The other characteristics of tert-Butyl 6-bromo-1'H,4H-spiro[1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate can be summarized as: (1)ACD/LogP: 4.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.667; (4)ACD/LogD (pH 7.4): 4.667; (5)ACD/BCF (pH 5.5): 2074.869; (6)ACD/BCF (pH 7.4): 2074.87; (7)ACD/KOC (pH 5.5): 8239.456; (8)ACD/KOC (pH 7.4): 8239.461; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.591; (13)Molar Refractivity: 90.555 cm³; (14)Molar Volume: 267.952 cm³; (15)Polarizability: 35.899×10^-24 cm³; (16)Surface Tension: 52.061 dyne/cm; (17)Density: 1.434 g/cm³; (18)Flash Point: 240.734 °C; (19)Enthalpy of Vaporization: 73.777 kJ/mol; (20)Boiling Point: 474.441 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)OCc3cc(ccc3O2)Br;
2. InChI: InChI=1/C17H22BrNO4/c1-16(2,3)23-15(20)19-8-6-17(7-9-19)21-11-12-10-13(18)4-5-14(12)22-17/h4-5,10H,6-9,11H2,1-3H3.

Product Name

Tert-Butyl6-bromo-4H-spiro[benzo[d][1,3]dioxine-2,4'-piperidine]-1'-carboxylate

tert-Butyl 6-bromo-1'H,4H-spiro[1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate Specification

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