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[ CAS No. 210488-52-1 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 210488-52-1
Chemical Structure| 210488-52-1
Chemical Structure| 210488-52-1
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Quality Control of [ 210488-52-1 ]

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Product Details of [ 210488-52-1 ]

CAS No. :210488-52-1 MDL No. :MFCD08057359
Formula : C9H11NO2 Boiling Point : -
Linear Structure Formula :- InChI Key :ZWBXYAKHFVPCBF-LURJTMIESA-N
M.W : 165.19 Pubchem ID :40433452
Synonyms :

Calculated chemistry of [ 210488-52-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.33
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 44.99
TPSA : 44.48 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.46 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.17
Log Po/w (XLOGP3) : 1.19
Log Po/w (WLOGP) : 1.11
Log Po/w (MLOGP) : 0.93
Log Po/w (SILICOS-IT) : 1.65
Consensus Log Po/w : 1.41

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.92
Solubility : 2.0 mg/ml ; 0.0121 mol/l
Class : Very soluble
Log S (Ali) : -1.72
Solubility : 3.15 mg/ml ; 0.019 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.22
Solubility : 1.0 mg/ml ; 0.00605 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.34

Safety of [ 210488-52-1 ]

Signal Word:Warning Class:
Precautionary Statements:P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362 UN#:
Hazard Statements:H315-H319 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 210488-52-1 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 210488-52-1 ]

[ 210488-52-1 ] Synthesis Path-Downstream   1~46

  • 1
  • [ 1010385-15-5 ]
  • [ 210488-52-1 ]
  • 2
  • [ 210488-52-1 ]
  • [ 3282-30-2 ]
  • [ 1010385-37-1 ]
  • 3
  • (R)-N-(1-(benzo[d][1,3]dioxol-5-yl)ethylidene)-2-methylpropane-2-sulfinamide [ No CAS ]
  • [ 210488-52-1 ]
  • 4
  • (RS)-N-((S)-1-(benzo[d][1,3]dioxol-5-yl)ethyl)-2-methylpropane-2-sulfinamide [ No CAS ]
  • [ 210488-52-1 ]
YieldReaction ConditionsOperation in experiment
92.84% With thionyl chloride; In methanol; at 0 - 20℃; for 1.25h; To a stirred solution of (Rs)-N-((S)-1-(benzo[d][1 ,3]dioxol-5-yl)ethyl)-2-methylpropane-2-sulfinamide (68 g, 252 mmol) in MeOH (680 mL), thionyl chloride (74.3 g, 630 mmol) was added at 0 C over 15 min and the resulting mixture was stirred at rt for 1 h. The completion of the reaction was confirmed by TLC. The reaction mixture was concentrated under vacuum at 50 C. The resulting residue was suspended in EtOAc (300 mL), filtered and washed with EtOAc (150 mL). The product was basified with 30% aqueous ammonia solution (300 mL) and extracted with EtOAc (2 x 250 mL). The combined organic layer was washed with brine solution (1 x 150 mL) and dried over Na2SO4. The solvent was evaporated at under vacuum to give the title compound. Yield: 92.84% (38.3 g, brown liquid). 1H NMR (400 MHz, DMSO-d6): δ 6.95 (s, 1H), 6.81-6.77 (m, 2H), 5.95 (s, 2H), 3.90 (q, J = 6.56 Hz, 1H ), 1.85 (s, 2H), 1.19 (m, J = 6.56 Hz, 3H). LCMS: (Method A) 149.0 (M-16), Rt. 1 .65 min, 99.56% (Max). HPLC : (Method A) Rt. 1 .60 min, 99.61 % (Max). Chiral HPLC: (Method B) Rt 1 1 .1 1 min, 100%.
92.84% With thionyl chloride; In methanol; at 0 - 20℃; for 1.25h; To a stirred solution of (Rs)-N-((S)-1-(benzo[d][1,3]dioxol-5-yl)ethyl)-2-methylpropane-2-sulfinamide (68 g, 252 mmol) in MeOH (680 mL), thionyl chloride (74.3 g, 630 mmol) was added at 0 C over 15 min and the resulting mixture was stirred at rt for 1 h. The completion of the reaction was confirmed by TLC. The reaction mixture was concentrated under vacuum at 50 C. The resulting residue was suspended in EtOAc (300 mL), filtered and washed with EtOAc (150 mL). The product was basified with 30% aqueous ammonia solution (300 mL) and extracted with EtOAc (2 x 250 mL). The combined organic layer was washed with brine solution (1 x 150 mL) and dried over Na2SO4. The solvent was evaporated at under vacuum to give the title compound. Yield: 92.84% (38.3 g, brown liquid). 1H NMR (400 MHz, DMSO-d6): δ 6.95 (s, 1 H), 6.81-6.77 (m, 2H), 5.95 (s, 2H), 3.90 (q, J = 6.56 Hz, 1 H ), 1.85 (s, 2H), 1.19 (m, J = 6.56 Hz, 3H). LCMS: (Method A) 149.0 (M-16), Rt. 1.65 min, 99.56% (Max). HPLC : (Method A) Rt. 1.60 min, 99.61 % (Max). Chiral HPLC: (Method B) Rt 1 1.1 1 min, 100%.
  • 5
  • [ 210488-52-1 ]
  • (S)-5-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-1-yl)-1,3,4-thiadiazol-2-amine [ No CAS ]
  • 6
  • [ 210488-52-1 ]
  • ethyl (S)-2-(4-(1-(benzo [d][1,3]dioxol-5-yl)ethyl)piperazin-1-yl)pyrimidine-5-carboxylate [ No CAS ]
  • 7
  • [ 210488-52-1 ]
  • lilthium (S)-2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-1-yl)pyrimidine-5-carboxylate [ No CAS ]
  • 8
  • [ 210488-52-1 ]
  • (S)-2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-1-yl)-N-methylpyrimidine-5-carboxamide [ No CAS ]
  • 9
  • [ 210488-52-1 ]
  • (S)-2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-1-yl)benzo[d]thiazole [ No CAS ]
  • 10
  • [ 210488-52-1 ]
  • (S)-2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-1-yl)-1H-benzo[d]imidazole [ No CAS ]
  • 11
  • [ 210488-52-1 ]
  • (S)-2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-1-yl)thiazolo[4,5-c]pyridine [ No CAS ]
  • 12
  • [ 210488-52-1 ]
  • (S)-5-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-1-yl)-N-ethyl-1,3,4-thiadiazol-2-amine [ No CAS ]
  • 13
  • [ 210488-52-1 ]
  • (S)-5-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-1-yl)-N-propyl-1,3,4-thiadiazol-2-amine [ No CAS ]
  • 14
  • [ 210488-52-1 ]
  • (S)-1-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)-4-(5-(trifluoromethyl)pyridin-2-yl)piperazine [ No CAS ]
  • 15
  • [ 210488-52-1 ]
  • (S)-1-(2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-1-yl)pyrimidin-5-yl)ethan-1-one [ No CAS ]
  • 16
  • [ 210488-52-1 ]
  • 1-(2-(4-((S)-1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-1-yl)pyrimidin-5-yl)ethan-1-ol [ No CAS ]
  • 17
  • [ 210488-52-1 ]
  • C18H23N5O4S [ No CAS ]
  • 18
  • [ 210488-52-1 ]
  • (S)-2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-1-yl)-5-fluoropyrimidine [ No CAS ]
  • 19
  • [ 210488-52-1 ]
  • (S)-2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-1-yl)-5-bromopyrimidine [ No CAS ]
  • 20
  • [ 210488-52-1 ]
  • (S)-2-(2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-1-yl)pyrimidin-5-yl)propan-2-ol [ No CAS ]
  • 21
  • [ 210488-52-1 ]
  • (S)-2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-1-yl)-5-nitropyrimidine [ No CAS ]
  • 22
  • [ 210488-52-1 ]
  • (S)-2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl) piperazin-1-yl)pyrimidin-5-amine [ No CAS ]
  • 23
  • [ 210488-52-1 ]
  • (S)-N-(2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-1-yl)pyrimidin-5-yl)-3-hydroxypropanamide [ No CAS ]
  • 24
  • [ 210488-52-1 ]
  • (S)-4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazine-1-carbothioamide [ No CAS ]
  • 25
  • [ 210488-52-1 ]
  • tert-butyl (S)-2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-1-yl)-6,7-dihydrothiazolo[5,4-c]pyridine-5(4H)-carboxylate [ No CAS ]
  • 26
  • [ 210488-52-1 ]
  • (S)-2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-1-yl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine [ No CAS ]
  • 27
  • [ 210488-52-1 ]
  • ethyl (S)-6-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-1-yl)nicotinate [ No CAS ]
  • 28
  • [ 210488-52-1 ]
  • (S)-1-(2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-1-yl)-6,7-dihydrothiazolo[5,4-c]pyridin-5(4H)-yl)ethan-1-one [ No CAS ]
  • 29
  • [ 210488-52-1 ]
  • (S)-(6-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-1-yl)pyridin-3-yl)methanol [ No CAS ]
  • 30
  • [ 210488-52-1 ]
  • lithium (S)-6-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-1-yl)nicotinate [ No CAS ]
  • 31
  • [ 210488-52-1 ]
  • (S)-6-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-1-yl)-N-methylnicotinamide [ No CAS ]
  • 32
  • [ 210488-52-1 ]
  • (S)-6-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-1-yl)-N,N-dimethylnicotinamide [ No CAS ]
  • 33
  • [ 210488-52-1 ]
  • (S)-4-(2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-1-yl)pyrimidin-5-yl)tetrahydro-2H-pyran-4-ol [ No CAS ]
  • 34
  • [ 210488-52-1 ]
  • (S)-2-(6-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-1-yl)pyridin-3-yl)propan-2-ol [ No CAS ]
  • 35
  • [ 210488-52-1 ]
  • (S)-1-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)-4-(5-bromopyridin-2-yl)piperazine [ No CAS ]
  • 36
  • [ 210488-52-1 ]
  • (S)-1-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)-4-(5-(methylthio)pyridin-2-yl)piperazine [ No CAS ]
  • 37
  • [ 210488-52-1 ]
  • (S)-2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-1-yl)-5-(methylsulfonyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine [ No CAS ]
  • 38
  • [ 210488-52-1 ]
  • (S)-2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-1-yl)-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine [ No CAS ]
  • 39
  • [ 210488-52-1 ]
  • (S)-2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-1-yl)-5-methoxypyrimidine [ No CAS ]
  • 40
  • [ 210488-52-1 ]
  • (S)-1-(2-(4-((S)-1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-1-yl)pyrimidin-5-yl)ethan-1-ol [ No CAS ]
  • (S)-1-(2-(4-((R)-1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-1-yl)pyrimidin-5-yl)ethan-1-ol [ No CAS ]
  • 41
  • [ 210488-52-1 ]
  • (S)-1-(1-(benzo[d][1,3]dioxol-5-yl) ethyl)piperazine hydrochloride [ No CAS ]
  • 42
  • [ 210488-52-1 ]
  • [ 42137-88-2 ]
  • (S)-1-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)-4-tosylpiperazine [ No CAS ]
YieldReaction ConditionsOperation in experiment
63.2% With N-ethyl-N,N-diisopropylamine; at 105℃; To a stirred solution of (S)-1-(benzo[d][1 ,3]dioxol-5-yl)ethan-1-amine (41 g, 248 mmol) in DIPEA (86.6 mL, 496 mmol), N,N-bis(2-chloroethyl)-p-toluene sulfonamide (80.74 g, 273 mmol) was added at rt and the resulting mixture was heated at 105 C overnight. The completion of the reaction was confirmed by TLC and the reaction mixture was diluted with water (1000 mL) and extracted with EtOAc (2 x 500 mL). The combined organic layer was washed with water (200 mL), brine solution (200 mL) and dried over Na2SO4. After evaporation of the solvent, the resulting crude solid was suspended in pet ether (350 mL) and stirred for 10 min at rt. The suspension was filtered and was washed with Et2O (2 x 200 mL) and dried under vacuum to give the title compound. Yield: 63.2% (61 g, Off white solid). 1 H NMR (400 MHz, DMSO-d6): delta 7.59 (d, J = 8.2 Hz, 2H), 7.45 (d, J = 8.2 Hz, 2H), 6.81-6.77 (m, 1H), 6.69 (d, J = 7.4 Hz, 1H), 5.96 (s, 2H), 3.32 (q, J = 7.76 Hz, 1H), 2.81-2.80 (m, 4H), 2.42 (s, 3H), 2.36-2.32 (m, 4H), 1.18 (d, J= 6.4 Hz, 3H). LCMS: (Method A) 389.2 (M+H), Rt. 3.40 min, 98.09% (Max). HPLC: (Method A) Rt. 3.30 min, 98.69% (Max). Chiral HPLC: (Method D) Rt. 15.79 min, 100.00%
63.2% With N-ethyl-N,N-diisopropylamine; at 105℃; To a stirred solution of (S)-1-(benzo[d][1,3]dioxol-5-yl)ethan-1-amine (41 g, 248 mmol) in DIPEA (86.6 mL, 496 mmol), N,N-bis(2-chloroethyl)-p-toluene sulfonamide (80.74 g, 273 mmol) was added at rt and the resulting mixture was heated at 105 C overnight. The completion of the reaction was confirmed by TLC and the reaction mixture was diluted with water (1000 mL) and extracted with EtOAc (2 x 500 mL). The combinedorganic layer was washed with water (200 mL), brine solution (200 mL) and dried over Na2SO4. After evaporation of the solvent, the resulting crude solid was suspended in pet ether (350 mL) and stirred for 10 mm at rt. The suspension was filtered and was washed with Et20 (2 x 200 mL) and dried under vacuum to give the title compound. Yield: 63.2% (61 g, Off white solid). 1H NMR (400 MHz, DMSO-d6): 6 7.59 (d, J = 8.2Hz, 2H), 7.45 (d, J = 8.2 Hz, 2H), 6.81-6.77 (m, IH), 6.69 (d, J = 7.4 Hz, IH), 5.96 (s,2H), 3.32 (q, J = 7.76 Hz, IH), 2.81-2.80 (m, 4H), 2.42 (s, 3H), 2.36-2.32 (m, 4H), 1.18(d, J= 6.4 Hz, 3H). LCMS: (Method A) 389.2 (M+H), Rt. 3.40 mm, 98.09% (Max).HPLC: (Method A) Rt. 3.30 mm, 98.69% (Max). Chiral HPLC: (Method D) Rt. 15.79mm, 100.00%
63.2% With N-ethyl-N,N-diisopropylamine; at 105℃; To a stirred solution of (S)-1-(benzo[d][1,3]dioxol-5-yl)ethan-1-amine (41 g, 248 mmol) in DIPEA (86.6 mL, 496 mmol), N,N-bis(2-chloroethyl)-p-toluene sulfonamide (80.74 g, 273 mmol) was added at rt and the resulting mixture was heated at 105 C overnight. Thecompletion of the reaction was confirmed by TLC and the reaction mixture was diluted with water (1000 mL) and extracted with EtOAc (2 x 500 mL). The combined organic layer was washed with water (200 mL), brine solution (200 mL) and dried over Na2SO4. After evaporation of the solvent, the resulting crude solid was suspended in pet ether (350 mL) and stirred for 10 mm at rt. The suspension was filtered and was washed with Et20 (2 x200 mL) and dried under vacuum to give the title compound. Yield: 63.2% (61 g, Off whitesolid). 1H NMR (400 MHz, DMSO-d6): 6 7.59 (d, J = 8.2 Hz, 2H), 7.45 (d, J = 8.2 Hz, 2H),6.81-6.77 (m, IH), 6.69 (d, J = 7.4 Hz, IH), 5.96 (5, 2H), 3.32 (q, J = 7.76 Hz, IH), 2.81-2.80 (m, 4H), 2.42 (5, 3H), 2.36-2.32 (m, 4H), 1.18 (d, J= 6.4 Hz, 3H). LCMS: (Method A)389.2 (M+H), Rt. 3.40 mm, 98.09% (Max). HPLC: (Method A) Rt. 3.30 mm, 98.69% (Max).Chiral H PLC: (Method D) Rt. 15.79 mm, 100.00%
63.2% With N-ethyl-N,N-diisopropylamine; at 105℃; To a stirred solution of (S)-1-(benzo[d][1,3]dioxol-5-yl)ethan-1-amine (41 g, 248 mmol) in DIPEA (86.6 mL, 496 mmol), N,N-bis(2-chloroethyl)-p-toluene sulfonamide (80.74 g, 273 mmol) was added at rt and the resulting mixture was heated at 105 C overnight. The completion of the reaction was confirmed by TLC and the reaction mixture was diluted with water (1000 mL) and extracted with EtOAc (2 x 500 mL). The combined organic layer was washed with water (200 mL), brine solution (200 mL) and dried over Na2SO4. After evaporation of the solvent, the resulting crude solid was suspended in pet ether (350 mL) and stirred for 10 min at rt. The suspension was filtered and was washed with Et2O (2 x 200 mL) and dried under vacuum to give the title compound. Yield: 63.2% (61 g, Off white solid). 1H NMR (400 MHz, DMSO-d6): delta 7.59 (d, J = 8.2 Hz, 2H), 7.45 (d, J = 8.2 Hz, 2H), 6.81-6.77 (m, 1 H), 6.69 (d, J = 7.4 Hz, 1 H), 5.96 (s, 2H), 3.32 (q, J = 7.76 Hz, 1 H), 2.81- 2.80 (m, 4H), 2.42 (s, 3H), 2.36-2.32 (m, 4H), 1.18 (d, J= 6.4 Hz, 3H). LCMS: (Method A) 389.2 (M+H), Rt. 3.40 min, 98.09% (Max). HPLC: (Method A) Rt. 3.30 min, 98.69% (Max). Chiral HPLC: (Method D) Rt. 15.79 min, 100.00%

  • 44
  • (R)-N-(1-(benzo[d][1,3]dioxol-5-yl)ethylidene)-2-methylpropane-2-sulfinamide [ No CAS ]
  • [ 210488-52-1 ]
  • 45
  • (R)-N-((S)-1-(benzo[d][1,3]dioxol-5-yl)ethyl)-2-methylpropane-2-sulfinamide [ No CAS ]
  • [ 210488-52-1 ]
YieldReaction ConditionsOperation in experiment
92.84% With thionyl chloride; In methanol; at 0 - 20℃; for 1h; To a stirred solution of (Rs)-N-((S)- I -(benzo[d][1 ,3]dioxol-5-yl)ethyl)-2-methylpropane-2-sulfinamide (68 g, 252 mmol) in MeOH (680 mL), thionyl chloride (74.3 g, 630 mmol) was added at 0 C over 15 mm and the resulting mixture was stirred at rt for I h. The completion of the reaction was confirmed by TLC. The reaction mixture was concentrated under vacuum at 50 C. The resulting residue was suspended in EtOAc(300 mL), filtered and washed with EtOAc (150 mL). The product was basified with30% aqueous ammonia solution (300 mL) and extracted with EtOAc (2 x 250 mL). The combined organic layer was washed with brine solution (1 x 150 mL) and dried over Na2SO4. The solvent was evaporated at under vacuum to give the title compound. Yield: 92.84% (38.3 g, brown liquid). 1H NMR (400 MHz, DMSO-d6): 6 6.95 (s, I H),6.81-6.77 (m, 2H), 5.95 (s, 2H), 3.90 (q, J = 6.56 Hz, IH), 1.85 (s, 2H), 1.19 (m, J =6.56 Hz, 3H). LCMS: (Method A) 149.0 (M-16), Rt. 1.65 mm, 99.56% (Max). HPLC:(Method A) Rt. 1.60 mm, 99.61% (Max). Chiral HPLC: (Method B) Rt 11.11 mm, 100%.
92.84% With thionyl chloride; In methanol; at 0 - 20℃; for 1.25h; To a stirred solution of (Rs)-N-((S)-1 -(benzo[d][1 ,3]dioxol-5-yl)ethyl)-2-methylpropane-2- sulfinamide (68 g, 252 mmol) in MeOH (680 mL), thionyl chloride (74.3 g, 630 mmol) wasadded at 0 C over 15 mm and the resulting mixture was stirred at rt for I h. The completion of the reaction was confirmed by TLC. The reaction mixture was concentrated under vacuum at 50 C. The resulting residue was suspended in EtOAc (300 mL), filtered and washed with EtOAc (150 mL). The product was basified with 30% aqueous ammonia solution (300 mL) and extracted with EtOAc (2 x 250 mL). The combined organic layer waswashed with brine solution (I x 150 mL) and dried over Na2SO4. The solvent was evaporated at under vacuum to give the title compound. Yield: 92.84% (38.3 g, brown liquid). 1H NMR (400 MHz, DMSO-d6): 66.95 (s, IH), 6.81-6.77 (m, 2H), 5.95 (s, 2H), 3.90 (q, J = 6.56 Hz, IH), 1.85 (s, 2H), 1.19 (m, J = 6.56 Hz, 3H). LCMS: (Method A) 149.0 (M16), Rt. 1.65 mm, 99.56% (Max). HPLC : (Method A) Rt. 1.60 mm, 99.61% (Max). Chiral HPLC: (Method B) Rt 11.11 mm, 100%.
  • 46
  • [ 210488-52-1 ]
  • (S)-1-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazine [ No CAS ]
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