N-(2-Chloroethyl)-N'-[1-(phenylmethyl)-3-piperidinyl]urea

Base Information

Chemical Name:N-(2-Chloroethyl)-N'-[1-(phenylmethyl)-3-piperidinyl]urea
CAS No.:74045-92-4
Molecular Formula:C₁₅H₂₂ClN₃O
Molecular Weight:295.812
Hs Code.:
DSSTox Substance ID:DTXSID101196118

Synonyms:DTXSID101196118;N-(2-Chloroethyl)-N'-[1-(phenylmethyl)-3-piperidinyl]urea;74045-92-4

Suppliers and Price of N-(2-Chloroethyl)-N'-[1-(phenylmethyl)-3-piperidinyl]urea

Supply Marketing:

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

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Chemical Property of N-(2-Chloroethyl)-N'-[1-(phenylmethyl)-3-piperidinyl]urea

Chemical Property:

XLogP3:2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:295.1451400
Heavy Atom Count:20
Complexity:295

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CC(CN(C1)CC2=CC=CC=C2)NC(=O)NCCCl

Technology Process of N-(2-Chloroethyl)-N'-[1-(phenylmethyl)-3-piperidinyl]urea

There total 5 articles about N-(2-Chloroethyl)-N'-[1-(phenylmethyl)-3-piperidinyl]urea 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: 28.0%

: 1943-83-5
2-chloroethyl isothiocyanate

: 307532-02-1,368429-78-1,876160-18-8
3-amino-1-benzylpiperidine dihydrochloride

: 74045-92-4
N'-(1-benzyl-3-piperidinyl)-N-(2-chloroethyl)urea

Guidance literature:: With triethylamine; In chloroform; for 16h;
DOI:10.1021/jm00182a007

Reference yield:

: 462-08-8
pyridin-3-ylamine

: 74045-92-4
N'-(1-benzyl-3-piperidinyl)-N-(2-chloroethyl)urea

Guidance literature:: Multi-step reaction with 5 steps

1: 72 percent / tetrahydrofuran / 17 h / Ambient temperature

2: 47 percent / PtO₂, conc. HCl, hydrogen / ethanol / 42 h

3: 78 percent / NaHCO₃ / dimethylformamide / 15 h / Ambient temperature

4: 67 percent / 6 N HCl / H₂O / 1 h / Heating

5: 28 percent / Et₃N / CHCl₃ / 16 h

With hydrogenchloride; platinum(IV) oxide; hydrogen; sodium hydrogencarbonate; triethylamine; In tetrahydrofuran; ethanol; chloroform; water; N,N-dimethyl-formamide;
DOI:10.1021/jm00182a007

Reference yield:

: 5867-45-8
N-(pyridin-3-yl)acetamide

: 74045-92-4
N'-(1-benzyl-3-piperidinyl)-N-(2-chloroethyl)urea

Guidance literature:: Multi-step reaction with 4 steps

1: 47 percent / PtO₂, conc. HCl, hydrogen / ethanol / 42 h

2: 78 percent / NaHCO₃ / dimethylformamide / 15 h / Ambient temperature

3: 67 percent / 6 N HCl / H₂O / 1 h / Heating

4: 28 percent / Et₃N / CHCl₃ / 16 h

With hydrogenchloride; platinum(IV) oxide; hydrogen; sodium hydrogencarbonate; triethylamine; In ethanol; chloroform; water; N,N-dimethyl-formamide;
DOI:10.1021/jm00182a007