(5E)-1-(4-bromo-3-methylphenyl)-5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione

Base Information

• Chemical Name: (5E)-1-(4-bromo-3-methylphenyl)-5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
• CAS No.: 6063-89-4
• Molecular Formula: C5H13 Al O
• Molecular Weight: 116.139
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID10417423
• Wikidata: Q82227328
• Mol file: 6063-89-4.mol

Synonyms:6063-89-4;(5E)-1-(4-bromo-3-methylphenyl)-5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione;CID 5347394;DTXSID10417423;BIM-0043426.P001

Chemical Property of (5E)-1-(4-bromo-3-methylphenyl)-5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione

Chemical Property:

• Boiling Point: 186 °C
• Flash Point: 5°C (41°F)
• PSA: 9.23000
• Density: 0.824 g/mL at 25 °C
• LogP: 2.04330
• Sensitive.: air sensitive, moisture sensitiv
• XLogP3: 4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 463.97746
• Heavy Atom Count: 28
• Complexity: 687

Purity/Quality:

98%,99%, ^*data from raw suppliers

Dimethylaluminum i-propoxide, 98% (99.99+%-Al) PURATREM ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F+
• Hazard Codes: F+
• Statements: 12-14/15
• Safety Statements: 43

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)N2C(=O)C(=CC3=C(C(=CC(=C3)Cl)OC)O)C(=O)NC2=O)Br
• Isomeric SMILES: CC1=C(C=CC(=C1)N2C(=O)/C(=C/C3=C(C(=CC(=C3)Cl)OC)O)/C(=O)NC2=O)Br
• Uses: DIMETHYLALUMINUM I-PROPOXIDE is useful starting material for the atomic layer deposition of Al2O3 films.

Technology Process of (5E)-1-(4-bromo-3-methylphenyl)-5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione

There total 1 articles about (5E)-1-(4-bromo-3-methylphenyl)-5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione 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:

→ aluminium dimethylisopropoxide (6063-89-4)

Guidance literature:

aus Trimethylaluminium u. Aluminium-triisopropylat;

Reference yield: 52.0%

HOC(CF3)2CH2C(CH3)NCH2C6H5 + aluminium dimethylisopropoxide (6063-89-4) → [(OC(CF3)2CH2C(CH3)NCH2C6H5)2Al(OCH(CH3)2)]

Guidance literature:

In toluene; byproducts: CH4; (Ar); std. Schlenk technique; soln. of ligand in toluene was added dropwise to soln. of Me2Al(O-i-Pr) (0.5 equiv.) in toluene at room temp.; stirred at 50°C for 48 h; evapd. (vac.); washed (cold hexane); dried (vac., 12 h); crystd. (hexane/THF, 2/1, -30°C); elem. anal.;

DOI:10.1021/om200907x

Reference yield: 47.0%

(CF3)2C(OH)CH2C(C6H5)NC6H5 (1004519-49-6) + aluminium dimethylisopropoxide (6063-89-4) → [(OC(CF3)2CH2C(C6H5)NC6H5)2Al(OCH(CH3)2)]

Guidance literature:

In toluene; byproducts: CH4; (Ar); std. Schlenk technique; soln. of ligand in toluene was added dropwise to soln. of Me2Al(O-i-Pr) (0.5 equiv.) in toluene at room temp.; stirred at 60°C for 24 h; evapd. (vac.); washed (cold hexane); dried (vac., 12 h); crystd. (hexane/THF, 2/1, -30°C); elem. anal.;

DOI:10.1021/om200907x

Downstream raw materials:

aluminum oxide

tris(methyldiphenylphosphine)methylcopper(I)

CH₃Cu(PPh₃)3*THF

MeCu(CH₃C(CH₂PPh₂)3)