N-(2,6-Bis(1-methylethyl)phenyl)-N'-(2-(1-methyl-1H-indol-3-yl)butyl)urea

Base Information

Chemical Name:N-(2,6-Bis(1-methylethyl)phenyl)-N'-(2-(1-methyl-1H-indol-3-yl)butyl)urea
CAS No.:145131-23-3
Molecular Formula:C₂₆H₃₅N₃O
Molecular Weight:405.583
Hs Code.:
DSSTox Substance ID:DTXSID10932505
Nikkaji Number:J759.405D
Mol file:145131-23-3.mol

Synonyms:145131-23-3;N-(2,6-Bis(1-methylethyl)phenyl)-N'-(2-(1-methyl-1H-indol-3-yl)butyl)urea;N(sup 1)-(2,6-Diisopropylphenyl)-N(sup 2)-(2-(1-methyl-3-indolyl)butyl)urea;Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-(2-(1-methyl-1H-indol-3-yl)butyl)-;1-[2,6-di(propan-2-yl)phenyl]-3-[2-(1-methylindol-3-yl)butyl]urea;DTXSID10932505;AYIQHRJVMJNQAZ-UHFFFAOYSA-N;LS-159099;N-[2-(1-Methyl-1H-indol-3-yl)butyl]-N'-(2,6-diisopropylphenyl)urea;N-[2,6-Di(propan-2-yl)phenyl]-N'-[2-(1-methyl-1H-indol-3-yl)butyl]carbamimidic acid

Suppliers and Price of N-(2,6-Bis(1-methylethyl)phenyl)-N'-(2-(1-methyl-1H-indol-3-yl)butyl)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-(2,6-Bis(1-methylethyl)phenyl)-N'-(2-(1-methyl-1H-indol-3-yl)butyl)urea

Chemical Property:

Vapor Pressure:2.2E-11mmHg at 25°C
Boiling Point:531.6°Cat760mmHg
PKA:13.77±0.46(Predicted)
Flash Point:275.3°C
PSA：49.55000
Density:1.07g/cm³
LogP:7.01780
XLogP3:5.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:7
Exact Mass:405.278012748
Heavy Atom Count:30
Complexity:532

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(CNC(=O)NC1=C(C=CC=C1C(C)C)C(C)C)C2=CN(C3=CC=CC=C32)C

Technology Process of N-(2,6-Bis(1-methylethyl)phenyl)-N'-(2-(1-methyl-1H-indol-3-yl)butyl)urea

There total 4 articles about N-(2,6-Bis(1-methylethyl)phenyl)-N'-(2-(1-methyl-1H-indol-3-yl)butyl)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: 68.0%

: 28178-42-9
2,6-diisopropylphenyl isocyanate

: 145132-14-5
2-(1-Methyl-1H-indol-3-yl)-butylamine

: 145131-23-3
1-(2,6-Diisopropyl-phenyl)-3-[2-(1-methyl-1H-indol-3-yl)-butyl]-urea

Guidance literature:: In di-isopropyl ether; Ambient temperature;
DOI:10.1016/0223-5234(96)80445-4

Reference yield:

: 771-51-7
indole-3-acetonitrile

: 145131-23-3
1-(2,6-Diisopropyl-phenyl)-3-[2-(1-methyl-1H-indol-3-yl)-butyl]-urea

Guidance literature:: Multi-step reaction with 4 steps

1: 60 percent / triton B, aq. NaOH / methanol / 3 h / Ambient temperature

2: 1.) NaH / 1.) DMF, 25 deg C, 3 h, 2.) DMF, 25-35 deg C, 4 h

3: 72 percent / LiAlH₄ / diethyl ether / Heating

4: 68 percent / diisopropyl ether / Ambient temperature

With sodium hydroxide; lithium aluminium tetrahydride; N-benzyl-trimethylammonium hydroxide; sodium hydride; In methanol; diethyl ether; di-isopropyl ether;
DOI:10.1016/0223-5234(96)80445-4

Reference yield:

: 51584-17-9
1-methyl-1H-indole-3-acetonitrile

: 145131-23-3
1-(2,6-Diisopropyl-phenyl)-3-[2-(1-methyl-1H-indol-3-yl)-butyl]-urea

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) NaH / 1.) DMF, 25 deg C, 3 h, 2.) DMF, 25-35 deg C, 4 h

2: 72 percent / LiAlH₄ / diethyl ether / Heating

3: 68 percent / diisopropyl ether / Ambient temperature

With lithium aluminium tetrahydride; sodium hydride; In diethyl ether; di-isopropyl ether;
DOI:10.1016/0223-5234(96)80445-4