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

Name
(S)-1-Boc-2-benzylpiperazine
EINECS
CAS No. 169447-86-3
Article Data3
CAS DataBase
Density 1.066g/cm³
Solubility
Melting Point
Formula C16H24 N2 O2
Boiling Point 382.9°C at 760 mmHg
Molecular Weight 276.379
Flash Point 185.4°C
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms 1-Piperazinecarboxylicacid, 2-(phenylmethyl)-, 1,1-dimethylethyl ester, (S)-
PSA 41.57000
LogP 2.70470

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℃;

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

: C19H20O2N4

: 952591-38-7
tert-butyl (S)-2-benzyl-4-[6-(3-benzyl-1H-pyrazol-5-yl)-5-iso-butylpyridazine-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℃;

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

: 952591-53-6
4-iso-butyl-6-(2-iso-propylphenyl)pyridazine-3-carboxylic acid

: 952591-54-7
tert-butyl (S)-2-benzyl-4-[4-iso-butyl-6-(2-iso-propylphenyl)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℃;

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

: 5-iso-butyl-6-(6-iso-butylpyrimidin-4-yl)pyridazine-3-carboxylic acid

: C33H44O3N6

Conditions

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

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

: C29H36ON4

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: EDCl; HOBt; DIPEA / CH2Cl2 / 20 °C 2: TFA / CH2Cl2 / 1 h / 20 °C View Scheme

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

: (S)-1-(2-benzyl-4-(4-iso-butyl-6-(2-iso-propylphenyl)pyridazine-3-carbonyl)piperazin-1-yl)ethanone

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: EDCl; HOBt; DIPEA / CH2Cl2 / 20 °C 2: TFA / CH2Cl2 / 1 h / 20 °C 3: TEA / acetonitrile / 20 °C View Scheme

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

: C12H10ClN5O

: C12H10ClN5O

: C12H9Cl2N5O

: C12H9Cl2N5O

A: 3-(3-methyl-1H-indazol-5-yl)-5-[(S)-4-Boc-3-benzylpiperazin-1-yl]-[1,2,4]triazine

B: 6-chloro-3-(3-methyl-1H-indazol-5-yl)-5-[(S)-4-Boc-3-benzylpiperazin-1-yl]-[1,2,4]triazine

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In 1,4-dioxane at 60℃; for 1h;

...Expand

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

: 27810-64-6
isoquinoline-5-carboxylic acid

: 1036739-94-2
C26H29N3O3

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane; N,N-dimethyl-formamide

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

: 34784-04-8
5-bromoisoquinoline

: 1036739-50-0
C25H29N3O2

Conditions

Conditions	Yield
With caesium carbonate; tris-(dibenzylideneacetone)dipalladium(0); 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl In toluene at 120℃; for 18h; Hartwig Buchwald amination;

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

: 496-41-3
Benzofuran-2-carboxylic acid

: C25H28N2O4

Conditions

Conditions	Yield
With 2,6-dimethylpyridine; 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide

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

: 6-(3-benzyl-1H-pyrazol-5-yl)-5-iso-butylpyridazine-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℃;

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

: 2-[(S)-3-benzylpiperazinyl]-6-[3-methyl-1H-indazol-5-yl]pyrazine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: N-ethyl-N,N-diisopropylamine / 1,4-dioxane; α,α,α-trifluorotoluene / 0.33 h / 180 °C 2: sodium carbonate / (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,2-dimethoxyethane; water / 0.25 h / 140 °C / Microwave irradiation 3: water; trifluoroacetic acid / 16 h / 20 °C View Scheme

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

: 2-amino-3-[(S)-3-benzylpiperazinyl]-5-(3-methyl-1H-indazol-5-yl)pyrazine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: N-ethyl-N,N-diisopropylamine / 1,4-dioxane; α,α,α-trifluorotoluene / 0.33 h / 210 °C / Microwave irradiation 2: triethylamine / tris-(dibenzylideneacetone)dipalladium(0); tris-(o-tolyl)phosphine / N,N-dimethyl-formamide / 0.17 h / 120 °C / Microwave irradiation 3: hydrogenchloride / 1,4-dioxane; dichloromethane / 1 h / 20 °C View Scheme

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

: 956006-06-7
2-amino-3-[(S)-4-Boc-3-benzylpiperazinyl]-5-(3-methyl-1H-indazol-5-yl)pyrazine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: N-ethyl-N,N-diisopropylamine / 1,4-dioxane; α,α,α-trifluorotoluene / 0.33 h / 210 °C / Microwave irradiation 2: triethylamine / tris-(dibenzylideneacetone)dipalladium(0); tris-(o-tolyl)phosphine / N,N-dimethyl-formamide / 0.17 h / 120 °C / Microwave irradiation View Scheme

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

: 956006-16-9
2-[(S)-4-Boc-3-benzylpiperazinyl]-6-[3-methyl-1-(2-(trimethylsilyl)ethoxymethyl)-1H-indazol-5-yl]pyrazine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: N-ethyl-N,N-diisopropylamine / 1,4-dioxane; α,α,α-trifluorotoluene / 0.33 h / 180 °C 2: sodium carbonate / (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,2-dimethoxyethane; water / 0.25 h / 140 °C / Microwave irradiation View Scheme

(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 .

Product Name

(S)-1-Boc-2-benzylpiperazine

Synthetic route

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

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

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

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