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ChemicalBook--->CAS DataBase List--->1062580-52-2

1062580-52-2

1062580-52-2 Structure

1062580-52-2 Structure
IdentificationBack Directory
[Name]

CIS-N-BENZYL-3-METHYLAMINO-4-METHYL-PIPERIDINE BIS-(HYDROCHLORIDE)
[CAS]

1062580-52-2
[Synonyms]

TOF30
Tofacitinib-1
Tofatinib Impurity 5
Tofacitinib interMediate A
Tofacitinib intermediate 3
piperidin-3-amine dihydrochL
Tofacitinib Impurity 123 DiHCl
Azilsartan medoxomil impurity351
Tofacitinib Impurity 5 Dihydrochloride
(3R,4R)-N,4-DiMethyl-1-(phenylMethyl)-3-piperidi
(3R,4R)-1-BENZYL-N,4-DIMETHYLPIPERIDIN-3-AMINE 2HCL
(3R,4R)-N,4-Dimethyl-1-(benzyl)-3-piperidinamine 2HCl
(3R,4R)- Cis-1-benzyl-4-Methyl-3-(MethylaMino)piperidine
cis-1-Benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride
(3R,4R)-N,4-Dimethyl-1-(phenylmethyl)-3-piperidinamine HCl
cis-1-Benzyl-N3,4-dimethylpiperidin-3-amine dihydrochloride
Cis-n-benzyl-3-methylamino-4-methyl-piperidine bis-(, HCl )
Cis 1-benzyl-4-methyl-3-methylamino-piperidine hydrochloride
(3R,4R)-1-BENZYL-N,4-DIMETHYLPIPERIDIN-3-AMINEDITYDROCHLORIDE
(3R,4R)-1-BENZYL-N,4-DIMETHYLPIPERIDIN-3-AMINE DIHYDROCHLORID
(3R,4R)-1-BENZYL-N,4-DIMETHYLPIPERIDIN-3-AMINE DIHYDROCHLORIDE
(3R,4R)-1-Benzyl-N,4-dimethyl-3-piperidinamine dihydrochloride
(3R,4R)-N,4-Dimethyl-1-(phenylmethyl)-3-piperidinamine hydro...
(3R,4R)-N,4-Dimethy1-(phenylmethyl)-3-piperidinamine hydrochloride
(3R,4R)-1-benzyl-N,4-diMethylpiperidin-3-aMine BIS-(HYDROCHLORIDE)
CIS-N-BENZYL-3-METHYLAMINO-4-METHYL-PIPERIDINE BIS-(HYDROCHLORIDE)
(3R,4R)-1-Benzyl-3-(methylamino)-4-methylpiperidine Dihydrochloride
(3R,4R)-N,4-Dimethyl-1-(phenylmethyl)-3-piperidinamine hydrochloride
cis-1-Benzyl-4-methyl-3-(methylamino)piperidine dihydrochloride 95+%
(3R,4R)-N, 4-dimethyl-1 -(phenylmethyl) -3-piperidamine hydrochloride
(3R,4R)-(1-Benzyl-4-methyl-piperidin-3-yl)-methyl-amine dihydrochloride
N-((3R,4R)-N,4-Dimethyl-1-(phenylmethyl)-3-piperidinamine hydrochloride
(3R,4R)- cis-1-Benzyl-4-Methyl-3-(MethylaMino)piperidine dihydrochloride
3-Piperidinamine, N,4-dimethyl-1-(phenylmethyl)-, dihydrochloride, (3R,4R)-
(3R,4R)-N,4-Dimethyl-1-(phenylmethyl)-3-piperidinamine, hydrochloride (1:2)
(3R,?4R)?-N,?4-?Dimethyl-?1-?(phenylmethyl)?-3-?piperidinamine Dihydrochloride
3-PiperidinaMine, N,4-diMethyl-1-(phenylMethyl)-, hydrochloride (1:2), (3R,4R)-
CIS-N-BENZYL-3-METHYLAMINO-4-METHYL-PIPERIDINE BIS-(HYDROCHLORIDE) Tofacitinib (Int.)
[Molecular Formula]

C14H24Cl2N2
[MDL Number]

MFCD11044501
[MOL File]

1062580-52-2.mol
[Molecular Weight]

291.26
Chemical PropertiesBack Directory
[Melting point ]

249~251℃
[storage temp. ]

Inert atmosphere,2-8°C
[solubility ]

Aqueous Acid (Slightly), DMSO (Slightly, Heated, Sonicated), Methanol (Slightly)
[form ]

Solid
[color ]

White to Off-White
[InChI]

InChI=1/C14H22N2.ClH/c1-12-8-9-16(11-14(12)15-2)10-13-6-4-3-5-7-13;/h3-7,12,14-15H,8-11H2,1-2H3;1H/t12-,14+;/s3
[InChIKey]

FVRZQLQXDPJADE-WLZBWWFYNA-N
[SMILES]

C(C1C=CC=CC=1)N1CC[C@@H](C)[C@@H](NC)C1.Cl |&1:10,12,r|
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P264-P270-P301+P312-P330-P501
[HazardClass ]

IRRITANT
[HS Code ]

2933399990
Hazard InformationBack Directory
[Uses]

(3R,?4R)?-N,?4-?Dimethyl-?1-?(phenylmethyl)?-3-?piperidinamine Hydrochloride is a related compound of Tofacitinib (T528000). (3R,?4R)?-N,?4-?Dimethyl-?1-?(phenylmethyl)?-3-?piperidinamine Hydrochloride can be used to prepare janus kinase 1 selective inhibitor.
[Uses]

(3R,4R)-1-benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development processes and chemical production processes.
[Synthesis]

Synthesis_1062580-52-2
The TiCl4(0.2g, 1mmol), NEt3(0.15g, 1 . 5mmol) suspended 200 ml in toluene, then add 1-benzyl-4-methyl-3-ketone piperidine (20.3g, 100mmol), temperature control 35 ??C methylamine solution is added to the reaction solution (9.32g, 120mmol) reaction 4 hours, adding NaBH (OAC) 3 (0.32g, 1 . 5mmol), glacial acetic acid 2 ml, temperature control 35 ??C reaction, thin layer monitoring after the reaction is complete. Adding saturated salt water washing, anhydrous sodium sulfate for drying the organic phase, the organic phase concentrated, with residues 35% hydrochloric acid ethanol re-crystallization, to obtain (3R, 4R)-cis-1-benzyl-4-methyl-3-methylamino-piperidine dihydrochloride 17.2g, yield 85.0%, optical purity 99.0% (HPLC method).
Spectrum DetailBack Directory
[Spectrum Detail]

(3R,4R)-1-benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride(1062580-52-2)1HNMR
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