[2-{4-[1-(4-fluorophenylmethyl)-1H-benzimidazol-2-ylamino]-1-piperidinyl}ethyl] 4-morpholinecarboxylate

Base Information

Chemical Name:[2-{4-[1-(4-fluorophenylmethyl)-1H-benzimidazol-2-ylamino]-1-piperidinyl}ethyl] 4-morpholinecarboxylate
CAS No.:73736-54-6
Molecular Formula:C₂₆H₃₂FN₅O₃
Molecular Weight:481.57
Hs Code.:
ChEMBL ID:CHEMBL57913
DSSTox Substance ID:DTXSID101110829

Synonyms:CHEMBL57913;SCHEMBL11480517;XUHUVIQOLLIKDH-UHFFFAOYSA-N;DTXSID101110829;[2-{4-[1-(4-fluorophenylmethyl)-1H-benzimidazol-2-ylamino]-1-piperidinyl}ethyl] 4-morpholinecarboxylate;73736-54-6;2-[4-[[1-[(4-Fluorophenyl)methyl]-1H-benzimidazol-2-yl]amino]-1-piperidinyl]ethyl 4-morpholinecarboxylate

Suppliers and Price of [2-{4-[1-(4-fluorophenylmethyl)-1H-benzimidazol-2-ylamino]-1-piperidinyl}ethyl] 4-morpholinecarboxylate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of [2-{4-[1-(4-fluorophenylmethyl)-1H-benzimidazol-2-ylamino]-1-piperidinyl}ethyl] 4-morpholinecarboxylate

Chemical Property:

XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:481.24891806
Heavy Atom Count:35
Complexity:665

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CN(CCC1NC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F)CCOC(=O)N5CCOCC5

Technology Process of [2-{4-[1-(4-fluorophenylmethyl)-1H-benzimidazol-2-ylamino]-1-piperidinyl}ethyl] 4-morpholinecarboxylate

There total 2 articles about [2-{4-[1-(4-fluorophenylmethyl)-1H-benzimidazol-2-ylamino]-1-piperidinyl}ethyl] 4-morpholinecarboxylate 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: 12.5%

: 110-91-8,99108-56-2
morpholine

: 497-19-8
sodium carbonate

: 73736-53-5
N-[1-(2-chloroethyl)-4-piperidinyl]-1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-amine dihydrochloride

: 73736-54-6
2-<4-<<1-<(4-fluorophenyl)methyl>-1H-benzimidazol-2-yl>amino>1-piperidinyl>ethyl 4-morpholinecarboxylate

Guidance literature:: With potassium iodide; In N,N-dimethyl-formamide; at 70 ℃; for 20h;
DOI:10.1021/jm00150a029

Reference yield:

: 75971-22-1
4-<<1-<(4-fluorophenyl)methyl>-1H-benzimidazol-2-yl>amino>-1-piperidineethanol dihydrochloride

: 73736-54-6
2-<4-<<1-<(4-fluorophenyl)methyl>-1H-benzimidazol-2-yl>amino>1-piperidinyl>ethyl 4-morpholinecarboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: 83 percent / tionyl chloride / CHCl₃ / 24 h / Heating

2: 12.5 percent / potassium iodide / dimethylformamide / 20 h / 70 °C

With thionyl chloride; potassium iodide; In chloroform; N,N-dimethyl-formamide;
DOI:10.1021/jm00150a029