1-Benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride

Base Information

• Chemical Name: 1-Benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride
• CAS No.: 1228879-37-5
• Molecular Formula: C14H22N2.2(HCl)
• Molecular Weight: 291.26000
• Hs Code.: 2933399990
• European Community (EC) Number: 807-478-7
• Mol file: 1228879-37-5.mol

Synonyms:1228879-37-5;1-Benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride;1-Benzyl-4-methyl-3-(methylamino)piperidine Dihydrochloride;MFCD09475546;1-benzyl-N,4-dimethylpiperidin-3-amine;dihydrochloride;3-Piperidinamine, N,4-dimethyl-1-(phenylmethyl)-, hydrochloride (1:2);477600-68-3;Tofacitinib Impurity 02;C14H24Cl2N2;MFCD09864744;SCHEMBL1847744;(3R,4R)-1-Benzyl-3-(methylamino)-4-methylpiperidine Dihydrochloride;CVQNXCBXFOIHLH-UHFFFAOYSA-N;CS-M3092;AKOS025290698;AM85514;SB10188;SB20814;SB22747;AC-31054;CS-13048;SY008371;SY026946;FT-0648996;A910075;N,4-Dimethyl-1-(phenylmethyl)-3-piperidinamine 2HCl;1-Benzyl-4-methyl-3-(methylamino)piperidineDihydrochloride;(1-benzyl-4-methylpiperidin-3-yl)-methylamine bishydrochloride;(1-benzyl4-methylpiperidin-3-yl)-methylamine bishydrochloride;(1-Benzyl-4-methyl-piperidin-3-yl)-methyl-amine dihydrochloride

Chemical Property of 1-Benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride

Chemical Property:

• PSA: 15.27000
• LogP: 4.04920
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 290.1316542
• Heavy Atom Count: 18
• Complexity: 199

Purity/Quality:

99%min ^*data from raw suppliers

1-Benzyl-4-methyl-3-(methylamino)piperidinedihydrochloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CCN(CC1NC)CC2=CC=CC=C2.Cl.Cl

Technology Process of 1-Benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride

There total 67 articles about 1-Benzyl-N,4-dimethylpiperidin-3-amine dihydrochloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 94.0%

N-(3R,4R)-(1-benzyl-4-methylpiperidin-3-yl)-methylamine (477600-70-7,1354621-59-2,1431697-80-1,477600-69-4) → N-((3R,4R)-1-benzyl-4-methylpiperidin-3-yl)-N-methylamine dihydrochloride (1062580-52-2,1228879-37-5,1354486-07-9,477600-68-3)

Guidance literature:

With hydrogenchloride; In ethanol; at 0 - 5 ℃; pH=3 - 4;

Reference yield: 86.4%

methyl (1-benzyl-4-methylpiperidin-3-yl)carbamate hydrochloride (1206824-67-0) → cis-N-benzyl-3-methoxycarbonylamino-4-methylpiperidine bis(hydrochloride) (1228879-37-5,1354486-07-9,477600-68-3)

Guidance literature:

methyl (1-benzyl-4-methylpiperidin-3-yl)carbamate hydrochloride; With lithium aluminium tetrahydride; In tetrahydrofuran; at -15 ℃; Reflux;

With water; In tetrahydrofuran; at 0 ℃;

With hydrogenchloride; In water; isopropyl alcohol; at 80 ℃; for 1.5h;

Reference yield: 85.5%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1-benzyl-4-methyl-3-amino piperidine (1039738-27-6) → N,4-dimethyl-1-(phenylmethyl)-3-piperidineamine bishydrochloride (1228879-37-5,1354486-07-9,477600-68-3)

Guidance literature:

formaldehyd; 1-benzyl-4-methyl-3-amino piperidine; With sodium methylate; In methanol; at 60 ℃; for 6h;

With methanol; sodium tetrahydroborate; at 20 ℃; for 2h;

With hydrogenchloride; In isopropyl alcohol; at 0 - 50 ℃; for 4h; Temperature; Solvent;

upstream raw materials:

cis-(1-benzyl-4-methyl-piperidin-3-yl)-methyl-amine

methyl (1-benzyl-4-methylpiperidin-3-yl)carbamate hydrochloride

3-amino-4-methylpyridine

cis-N-benzyl-3-methoxycarbonylamino-4-methylpiperidine

Downstream raw materials:

Tofacitinib citrate

(3R,4R)-methyl-(4-methyl-piperidin-3-yl)-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-amine

tasocitinib

tofacitinib citrate

Refernces

• 1、 -. "Preparation method of tofacitinib intermediate cis-1-benzyl-N, 4-dimethylpiperidine-3-amine dihydrochloride". . . Retrieved 2021/01/29.
• 2、 -. "PROCESS FOR THE PREPARATION OF CHIRAL 3-AMINO-PIPERIDINS, USEFUL INTERMEDIATES FOR THE PREPARATION OF TOFACITINIB". Paragraph 0112; 0113. . Retrieved 2019/01/15.