2-(4-Diphenylmethyl-1-piperazinyl)ethyl 5-(4,6-dimethyl-2-oxo-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylate

Base Information

Chemical Name:2-(4-Diphenylmethyl-1-piperazinyl)ethyl 5-(4,6-dimethyl-2-oxo-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylate
CAS No.:98908-06-6
Molecular Formula:C₃₈H₄₅N₄O₇P
Molecular Weight:700.772
Hs Code.:
DSSTox Substance ID:DTXSID00912992
Mol file:98908-06-6.mol

2-(4-Diphenylmethyl-1-piperazinyl)ethyl 5-(4,6-dimethyl-2-oxo-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylate

Synonyms:2-(4-diphenylmethyl-1-piperazinyl) ethyl 5-(4,6-dimethyl-2-oxo-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylate;NIP 101;NIP 101 dihydrochloride;NIP 101 dihydrochloride, (2(R)-(4alpha,6alpha))-isomer;NIP 101, (4R-(2(R*),4alpha,6beta))-isomer;NIP 101, (4R-(2(S*),4alpha,6beta))-isomer;NIP-101

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

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Chemical Property of 2-(4-Diphenylmethyl-1-piperazinyl)ethyl 5-(4,6-dimethyl-2-oxo-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylate

Chemical Property:

Vapor Pressure:5.01E-24mmHg at 25°C
Boiling Point:776.2°Cat760mmHg
Flash Point:423.2°C
Density:1.3g/cm³
XLogP3:5.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:10
Exact Mass:700.30258678
Heavy Atom Count:50
Complexity:1280

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1CC(OP(=O)(O1)C2=C(NC(=C(C2C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)C)C)C

Technology Process of 2-(4-Diphenylmethyl-1-piperazinyl)ethyl 5-(4,6-dimethyl-2-oxo-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylate

There total 10 articles about 2-(4-Diphenylmethyl-1-piperazinyl)ethyl 5-(4,6-dimethyl-2-oxo-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylate 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: 65.0%

: 90096-33-6
2-(4-diphenylmethyl-1-piperazinyl)ethyl 3-aminocrotonate

: 146142-53-2
(4S,6S)-2-<1-acetyl-2-(3-nitrophenyl)ethenyl>-4,6-dimethyl-2-oxo-1,3,2-dioxaphosphorinane

: 98908-06-6
2-(4-diphenylmethyl-1-piperazinyl)ethyl (4RS)-5-<(4S,6S)-4,6-dimethyl-2-oxo-1,3,2-dioxaphosphorinan-2-yl>-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylate

Guidance literature:: In toluene; for 10h; Heating;
DOI:10.1248/cpb.40.2370

Reference yield: 63.0%

: 90096-33-6
2-(4-diphenylmethyl-1-piperazinyl)ethyl 3-aminocrotonate

: 146142-52-1
(4R,6R)-2-<1-acetyl-2-(3-nitrophenyl)ethenyl>-4,6-dimethyl-2-oxo-1,3,2-dioxaphosphorinane

: 98908-06-6
2-(4-diphenylmethyl-1-piperazinyl)ethyl (4RS)-5-<(4R,6R)-4,6-dimethyl-2-oxo-1,3,2-dioxaphosphorinan-2-yl>-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylate

Guidance literature:: In toluene; for 10h; Heating;
DOI:10.1248/cpb.40.2370

Reference yield:

: 146142-48-5
(4S,6S)-2-methoxy-4,6-dimethyl-1,3,2-dioxaphosphorinane

: 98908-06-6
2-(4-diphenylmethyl-1-piperazinyl)ethyl (4RS)-5-<(4S,6S)-4,6-dimethyl-2-oxo-1,3,2-dioxaphosphorinan-2-yl>-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylate

Guidance literature:: Multi-step reaction with 3 steps

1: 61 percent / benzene / 1 h / Heating

2: 38 percent / piperidine / benzene / 5 h / Heating

3: 65 percent / toluene / 10 h / Heating

With piperidine; In toluene; benzene;
DOI:10.1248/cpb.40.2370