10H-Phenothiazine, 10-(((tetrahydro-5-(((4-nitrophenyl)amino)methyl)-4,6-dioxo-3-phenyl-2-thioxo-1(2H)-pyrimidinyl)amino)acetyl)-

Base Information

Chemical Name:10H-Phenothiazine, 10-(((tetrahydro-5-(((4-nitrophenyl)amino)methyl)-4,6-dioxo-3-phenyl-2-thioxo-1(2H)-pyrimidinyl)amino)acetyl)-
CAS No.:141177-54-0
Molecular Formula:C₃₁H₂₄N₆O₅S₂
Molecular Weight:624.701
Hs Code.:
DSSTox Substance ID:DTXSID90931011
Nikkaji Number:J510.492K

Synonyms:BRN 5371380;141177-54-0;10H-Phenothiazine, 10-(((tetrahydro-5-(((4-nitrophenyl)amino)methyl)-4,6-dioxo-3-phenyl-2-thioxo-1(2H)-pyrimidinyl)amino)acetyl)-;DTXSID90931011;C31H24N6O5S2;LS-105688;1-[[(10H-Phenothiazin-10-yl)carbonylmethyl]amino]-3-phenyl-5-(4-nitrophenyl)aminomethyl-2,3-dihydro-2-thioxopyrimidine-4,6(1H,5H)-dione;5-[(4-Nitroanilino)methyl]-1-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]amino}-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

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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 10H-Phenothiazine, 10-(((tetrahydro-5-(((4-nitrophenyl)amino)methyl)-4,6-dioxo-3-phenyl-2-thioxo-1(2H)-pyrimidinyl)amino)acetyl)-

Chemical Property:

Vapor Pressure:1.56E-29mmHg at 25°C
Boiling Point:854.7°C at 760 mmHg
Flash Point:470.7°C
Density:1.56g/cm³
XLogP3:5.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:624.12496023
Heavy Atom Count:44
Complexity:1090

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)N2C(=O)C(C(=O)N(C2=S)NCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)CNC6=CC=C(C=C6)[N+](=O)[O-]

Technology Process of 10H-Phenothiazine, 10-(((tetrahydro-5-(((4-nitrophenyl)amino)methyl)-4,6-dioxo-3-phenyl-2-thioxo-1(2H)-pyrimidinyl)amino)acetyl)-

There total 4 articles about 10H-Phenothiazine, 10-(((tetrahydro-5-(((4-nitrophenyl)amino)methyl)-4,6-dioxo-3-phenyl-2-thioxo-1(2H)-pyrimidinyl)amino)acetyl)- 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%

: 50-00-0,30525-89-4,61233-19-0
formaldehyd

: 100-01-6,104810-17-5
4-nitro-aniline

: 141177-47-1
3-aryl-1-(10-phenothiazine acetyl amino)-2,3-dihydro-2-thioxo-4,6-(1H,5H)pyrimidinedione

: 141177-54-0
5-[(4-Nitro-phenylamino)-methyl]-1-(2-oxo-2-phenothiazin-10-yl-ethylamino)-3-phenyl-2-thioxo-dihydro-pyrimidine-4,6-dione

Guidance literature:: In ethanol; water; a) r.t., 3 h, b) reflux, 2 h;

Reference yield:

: 58914-88-8
N-10-acetyl amino phenothiazyl-N-phenyl thiourea

: 141177-54-0
5-[(4-Nitro-phenylamino)-methyl]-1-(2-oxo-2-phenothiazin-10-yl-ethylamino)-3-phenyl-2-thioxo-dihydro-pyrimidine-4,6-dione

Guidance literature:: Multi-step reaction with 2 steps

1: 65 percent / AcCl / a) r.t., 2 h, b) 50 to 52 deg C, 4 h

2: 65 percent / ethanol; H₂O / a) r.t., 3 h, b) reflux, 2 h

With acetyl chloride; In ethanol; water;

Reference yield:

: 54012-74-7
10-(hydrazinoacetyl)-10H-phenothiazine

: 141177-54-0
5-[(4-Nitro-phenylamino)-methyl]-1-(2-oxo-2-phenothiazin-10-yl-ethylamino)-3-phenyl-2-thioxo-dihydro-pyrimidine-4,6-dione

Guidance literature:: Multi-step reaction with 3 steps

1: 75 percent / ethanol / 2 h / Heating

2: 65 percent / AcCl / a) r.t., 2 h, b) 50 to 52 deg C, 4 h

3: 65 percent / ethanol; H₂O / a) r.t., 3 h, b) reflux, 2 h

With acetyl chloride; In ethanol; water;