1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-(4-fluorophenyl)thiourea

Base Information

Chemical Name:1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-(4-fluorophenyl)thiourea
CAS No.:16113-38-5
Molecular Formula:C₁₆H₁₇FN₄S
Molecular Weight:316.402
Hs Code.:
NSC Number:73251
DSSTox Substance ID:DTXSID40421730
Nikkaji Number:J2.275.094A

Synonyms:MLS002693858;16113-38-5;NSC73251;DTXSID40421730;NSC-73251;4-(Dimethylamino)benzaldehyde 4-(4-fluorophenyl)thiosemicarbazone

Suppliers and Price of 1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-(4-fluorophenyl)thiourea

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 4 raw suppliers

Chemical Property of 1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-(4-fluorophenyl)thiourea

Chemical Property:

Vapor Pressure:4.4E-08mmHg at 25°C
Boiling Point:444.1°C at 760 mmHg
Flash Point:222.4°C
Density:1.18g/cm³
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:316.11579589
Heavy Atom Count:22
Complexity:372

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN(C)C1=CC=C(C=C1)C=NNC(=S)NC2=CC=C(C=C2)F
Isomeric SMILES:CN(C)C1=CC=C(C=C1)/C=N\NC(=S)NC2=CC=C(C=C2)F

Technology Process of 1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-(4-fluorophenyl)thiourea

There total 2 articles about 1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-(4-fluorophenyl)thiourea 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:

: 371-40-4
4-fluoroaniline

: 16113-38-5
4-dimethylamino-benzaldehyde 4-(4-fluoro-phenyl)-thiosemicarbazone

Guidance literature:: Multi-step reaction with 2 steps

1: (i) aq. NH₃, (ii) N₂H₄*H₂O, ClCH₂CO₂Na

2: AcOH / ethanol / Heating

With acetic acid; In ethanol;

Reference yield:

: 330-94-9
4-(4-fluorophenyl)thiosemicarbazide

: 100-10-7
4-dimethylamino-benzaldehyde

: 16113-38-5
4-dimethylamino-benzaldehyde 4-(4-fluoro-phenyl)-thiosemicarbazone

Guidance literature:: With acetic acid; In ethanol; Heating;

Reference yield:

: 15529-49-4,41756-81-4
tris(triphenylphosphine)ruthenium(II) chloride

: 16113-38-5
4-dimethylamino-benzaldehyde 4-(4-fluoro-phenyl)-thiosemicarbazone

: 877674-34-5
Ru(P(C₆H₅)3)2(C₆H₄FNHCSNNCHC₆H₄N(CH₃)2)2

Guidance literature:: With (CH₃CH₂)3N; In methanol; (CH3CH2)3N added to MeOH soln. of ligand, Ru(P(C6H5)3)3Cl2 added, refluxed for 3 h; filtered, washed with cold MeOH, recrystd. from CH2Cl2-MeOH; elem. anal.;
DOI:10.1016/j.ica.2005.11.001