Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-(6-fluoro-2,3-dimethoxyphenyl)ethyl)-

Base Information

Chemical Name:Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-(6-fluoro-2,3-dimethoxyphenyl)ethyl)-
CAS No.:181305-45-3
Molecular Formula:C16H17BrFN3O2S
Molecular Weight:414.2925
Hs Code.:
DSSTox Substance ID:DTXSID90171117
ChEMBL ID:CHEMBL137111
Mol file:181305-45-3.mol

Synonyms:181305-45-3;Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-(6-fluoro-2,3-dimethoxyphenyl)ethyl)-;N-(2-(2,3-Dimethoxy-6-fluorophenethyl))-N'-(2-(5-bromopyridyl))thiourea;N-[2-(2,3-Dimethoxy-6-fluorophenethyl)]-N'-[2-(5-bromopyridyl)]thiourea;Thiourea, N-(5-bromo-2-pyridinyl)-N'-[2-(6-fluoro-2,3-dimethoxyphenyl)ethyl]-;BDBM2141;CHEMBL137111;DTXSID90171117;1-(5-bromopyridin-2-yl)-3-[2-(6-fluoro-2,3-dimethoxyphenyl)ethyl]thiourea;1-(5-bromo-2-pyridyl)-3-[2-(6-fluoro-2,3-dimethoxy-phenyl)ethyl]thiourea;N-[2-(2,3-Dimethoxy-6-fluorophenethyl)]-N-[2-(5-bromopyridyl)]thiourea

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Supply Marketing:

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

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Chemical Property of Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-(6-fluoro-2,3-dimethoxyphenyl)ethyl)-

Chemical Property:

Vapor Pressure:1.58E-09mmHg at 25°C
Boiling Point:484.1°C at 760 mmHg
Flash Point:246.6°C
Density:1.49g/cm³
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:413.02089
Heavy Atom Count:24
Complexity:408

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C(=C(C=C1)F)CCNC(=S)NC2=NC=C(C=C2)Br)OC

Technology Process of Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-(6-fluoro-2,3-dimethoxyphenyl)ethyl)-

There total 4 articles about Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-(6-fluoro-2,3-dimethoxyphenyl)ethyl)- 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:

: 398-62-9
4-fluoroveratrole

: 181305-45-3
1-(5-Bromo-pyridin-2-yl)-3-[2-(6-fluoro-2,3-dimethoxy-phenyl)-ethyl]-thiourea

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) BuLi / 1.) hexane, THF, -65 degC, 0.5 h, 2.) hexane, THF, from -65 deg C to RT

2: 1.) NaOH, 2.) 4N aq. HCl / 1.) H₂O, methanol, -3 deg C, 15 min

3: LiAlH₄ / tetrahydrofuran / 2 h / Heating

4: 80 - 100 °C

With hydrogenchloride; sodium hydroxide; lithium aluminium tetrahydride; n-butyllithium; In tetrahydrofuran;
DOI:10.1021/jm950639r

Reference yield:

: 457628-14-7
6-fluoro-2,3-dimethoxybenzaldehyde

: 181305-45-3
1-(5-Bromo-pyridin-2-yl)-3-[2-(6-fluoro-2,3-dimethoxy-phenyl)-ethyl]-thiourea

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) NaOH, 2.) 4N aq. HCl / 1.) H₂O, methanol, -3 deg C, 15 min

2: LiAlH₄ / tetrahydrofuran / 2 h / Heating

3: 80 - 100 °C

With hydrogenchloride; sodium hydroxide; lithium aluminium tetrahydride; In tetrahydrofuran;
DOI:10.1021/jm950639r

Reference yield:

: 1027984-78-6
1-Fluoro-3,4-dimethoxy-2-((E)-2-nitro-vinyl)-benzene

: 181305-45-3
1-(5-Bromo-pyridin-2-yl)-3-[2-(6-fluoro-2,3-dimethoxy-phenyl)-ethyl]-thiourea

Guidance literature:: Multi-step reaction with 2 steps

1: LiAlH₄ / tetrahydrofuran / 2 h / Heating

2: 80 - 100 °C

With lithium aluminium tetrahydride; In tetrahydrofuran;
DOI:10.1021/jm950639r