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

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Quality Control of [ 210488-52-1 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 210488-52-1 ]

SDS Specification

Alternatived Products of [ 210488-52-1 ]

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 :

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 1~23

1
[ 1010385-15-5 ]
[ 210488-52-1 ]

Reference： [1]Tetrahedron Asymmetry,2008,vol. 19,p. 111 - 123

2
[ 210488-52-1 ]
[ 3282-30-2 ]
[ 1010385-37-1 ]

Reference： [1]Tetrahedron Asymmetry,2008,vol. 19,p. 111 - 123

3
(R)-N-(1-(benzo[d][1,3]dioxol-5-yl)ethylidene)-2-methylpropane-2-sulfinamide [ No CAS ]
[ 210488-52-1 ]

Reference： [1]Patent: WO2016/30443,2016,A1
[2]Patent: WO2017/144633,2017,A1
[3]Patent: WO2017/144639,2017,A1

4
(R_S)-N-((S)-1-(benzo[d][1,3]dioxol-5-yl)ethyl)-2-methylpropane-2-sulfinamide [ No CAS ]
[ 210488-52-1 ]

Yield	Reaction Conditions	Operation 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%.

Reference： [1]Patent: WO2016/30443,2016,A1 .Location in patent: Page/Page column 89
[2]Patent: WO2017/144639,2017,A1 .Location in patent: Page/Page column 110

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 ]