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Name	(S)-1-Boc-2-benzylpiperazine	EINECS	N/A
CAS No.	169447-86-3	Density	1.066g/cm³
PSA	41.57000	LogP	2.70470
Solubility	N/A	Melting Point	N/A
Formula	C16H24 N2 O2	Boiling Point	382.9°C at 760 mmHg
Molecular Weight	276.379	Flash Point	185.4°C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	Xi:;
Molecular Structure		Hazard Symbols	Xi
Synonyms	1-Piperazinecarboxylicacid, 2-(phenylmethyl)-, 1,1-dimethylethyl ester, (S)-	Article Data	3

(S)-1-Boc-2-benzylpiperazine Synthetic route

: (S)-tert-butyl 2,4-dibenzylpiperazine-1-carboxylate

: 169447-86-3
tert-butyl (S)-2-benzylpiperazine-1-carboxylate

Conditions

Conditions	Yield
With palladium 10% on activated carbon In methanol at 20℃; for 12h;	99%

: 489437-72-1
1-tert-Butoxycarbonyl-2(S)-(S),4-dibenzylpiperazine

: 169447-86-3
tert-butyl (S)-2-benzylpiperazine-1-carboxylate

Conditions

Conditions	Yield
palladium
palladium

: 13734-34-4
N-tert-butoxycarbonyl-L-phenylalanine

: 169447-86-3
tert-butyl (S)-2-benzylpiperazine-1-carboxylate

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: methanol / 0.5 h / 20 °C 1.2: 6 h / 20 °C 2.1: acetic acid / 2 h / 160 °C / Sealed tube 3.1: lithium aluminium tetrahydride / tetrahydrofuran / 2 h / 0 - 20 °C 4.1: triethylamine / dichloromethane / 18 h / 20 °C 5.1: palladium 10% on activated carbon / methanol / 12 h / 20 °C View Scheme

: 169447-84-1
(3S)-1,3-dibenzylpiperazine-2,5-dione

: 169447-86-3
tert-butyl (S)-2-benzylpiperazine-1-carboxylate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: lithium aluminium tetrahydride / tetrahydrofuran / 2 h / 0 - 20 °C 2: triethylamine / dichloromethane / 18 h / 20 °C 3: palladium 10% on activated carbon / methanol / 12 h / 20 °C View Scheme

: C27H37N3O4

: 169447-86-3
tert-butyl (S)-2-benzylpiperazine-1-carboxylate

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: acetic acid / 2 h / 160 °C / Sealed tube 2: lithium aluminium tetrahydride / tetrahydrofuran / 2 h / 0 - 20 °C 3: triethylamine / dichloromethane / 18 h / 20 °C 4: palladium 10% on activated carbon / methanol / 12 h / 20 °C View Scheme

: 204327-96-8
(3S)-1,3-dibenzylpiperazine

: 169447-86-3
tert-butyl (S)-2-benzylpiperazine-1-carboxylate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: triethylamine / dichloromethane / 18 h / 20 °C 2: palladium 10% on activated carbon / methanol / 12 h / 20 °C View Scheme

: 169447-86-3
tert-butyl (S)-2-benzylpiperazine-1-carboxylate

: 581812-64-8
2,2,2-trichloro-N-(isoquinolin-5-yl)acetamide

: 1036740-32-5
C26H30N4O3

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran	39%

: 169447-86-3
tert-butyl (S)-2-benzylpiperazine-1-carboxylate

: 24241-18-7
2-amino-3,5-dibromopyrazine

: 956006-04-5
2-amino-5-bromo-3-[(S)-4-Boc-3-benzylpiperazinyl]pyrazine

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In 1,4-dioxane; α,α,α-trifluorotoluene at 210℃; for 0.333333h; Microwave irradiation;

: 169447-86-3
tert-butyl (S)-2-benzylpiperazine-1-carboxylate

: 4774-14-5
2,6-dichloropyrazine

: 956006-14-7
C20H25ClN4O2

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In 1,4-dioxane; α,α,α-trifluorotoluene at 180℃; for 0.333333h;

: 169447-86-3
tert-butyl (S)-2-benzylpiperazine-1-carboxylate

: 5-iso-butyl-6-(3-iso-butyl-1H-pyrazol-5-yl)pyridazine-3-carboxylic acid

: 952591-36-5
tert-butyl (S)-2-benzyl-4-[5-iso-butyl-6-(3-iso-butyl-1H-pyrazol-5-yl)pyridazine-3-carbonyl]piperazine-1-carboxylate

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃;

(S)-1-Boc-2-benzylpiperazine Chemical Properties

IUPAC Name: Tert-butyl (2S)-2-benzylpiperazine-1-carboxylate
Molecular Formula: C₁₆H₂₄N₂O₂
Molecular Weight: 276.37 g/mol
Canonical SMILES: CC(C)(C)OC(=O)N1CCNCC1CC2=CC=CC=C2
InChI: InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-10-9-17-12-14(18)11-13-7-5-4-6-8-13/h4-8,14,17H,9-12H2,1-3H3/t14-/m0/s1
Mol File: 169447-86-3.mol
Product Categories: Piperaizine
XLogP3-AA: 2.5
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 4
Exact Mass: 276.183778
MonoIsotopic Mass: 276.183778
Topological Polar Surface Area: 41.6
Heavy Atom Count: 20
Complexity: 319
Index of Refraction: 1.524
Molar Refractivity: 79.34 cm³
Molar Volume: 259 cm³
Polarizability: 31.45×10^-24cm³
Surface Tension: 39.4 dyne/cm
Density: 1.066 g/cm³
Flash Point: 185.4 °C
Enthalpy of Vaporization: 63.13 kJ/mol
Boiling Point: 382.9 °C at 760 mmHg
Vapour Pressure of (S)-1-Boc-2-benzylpiperazine (CAS NO.169447-86-3): 4.58E-06 mmHg at 25 °C

(S)-1-Boc-2-benzylpiperazine Safety Profile

Hazard Codes of (S)-1-Boc-2-benzylpiperazine (CAS NO.169447-86-3): Irritant Xi

(S)-1-Boc-2-benzylpiperazine Specification

(S)-1-Boc-2-benzylpiperazine (CAS NO.169447-86-3), its Synonyms are (S)-1-Boc-2-benzyl-piperazine ; (S)-1-BOC-2-benzyl-piperazine 98% ; (S)-2-Benzylpiperazine, N1-BOC protected ; 2S-Benzyl-piperazine-1-carboxylic acid tert-butyl ester ; (S)-N1-boc-2-benzylpiperazine ; (S)-2-Benzyl-piperazine-1-carboxylic acid tert-butyl ester ; (S)-1-N-boc-2-benzyl-piperazine .

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