1,3,5-Tris(bromomethyl)-2,4,6-triethylbenzene

Base Information

• Chemical Name: 1,3,5-Tris(bromomethyl)-2,4,6-triethylbenzene
• CAS No.: 181058-08-2
• Molecular Formula: C15H21Br3
• Molecular Weight: 441.044
• Hs Code.: 2903999090
• European Community (EC) Number: 626-917-1
• DSSTox Substance ID: DTXSID70404612
• Nikkaji Number: J1.550.742J
• Mol file: 181058-08-2.mol

Synonyms:1,3,5-Tris(bromomethyl)-2,4,6-triethylbenzene;181058-08-2;Benzene, 1,3,5-tris(bromomethyl)-2,4,6-triethyl-;1,3,5-tris(bromomethyl)-2,4,6-triethyl-benzene;C15H21Br3;TriBr;YSZC577;1-N-CBZ-2-Benzylpiperazine;SCHEMBL637364;DTXSID70404612;UMKPSDHZXLYFJF-UHFFFAOYSA-N;AMY41588;MFCD01076347;AKOS015910937;s12365;LS-14424;FT-0748561;1,3,5-Tris(bromomethyl)-2,4,6-triethylbenzene, 98%

Chemical Property of 1,3,5-Tris(bromomethyl)-2,4,6-triethylbenzene

Chemical Property:

• Vapor Pressure: 5.21E-06mmHg at 25°C
• Melting Point: 172-177 °C
• Refractive Index: 1.586
• Boiling Point: 392.3 °C at 760 mmHg
• Flash Point: 185.3 °C
• PSA: 0.00000
• Density: 1.595 g/cm³
• LogP: 6.05850
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 439.91729
• Heavy Atom Count: 18
• Complexity: 176

Purity/Quality:

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

1,3,5-Tris(bromomethyl)-2,4,6-triethylbenzene 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(C(=C(C(=C1CBr)CC)CBr)CC)CBr

Technology Process of 1,3,5-Tris(bromomethyl)-2,4,6-triethylbenzene

There total 6 articles about 1,3,5-Tris(bromomethyl)-2,4,6-triethylbenzene 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: 100.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1,3,5-triethylbenzene (102-25-0) → 1,3,5-tris(bromomethyl)-2,4,6-triethylbenzene (181058-08-2)

Guidance literature:

With hydrogen bromide; zinc dibromide; In acetic acid; Reflux;

DOI:10.1055/s-0030-1259306

Reference yield: 80.0%

1,3,5-triethylbenzene (102-25-0) + paracetaldehyde (123-63-7) → 1,3,5-tris(bromomethyl)-2,4,6-triethylbenzene (181058-08-2)

Guidance literature:

With hydrogen bromide; zinc dibromide; In acetic acid; at 90 - 95 ℃; for 60h;

DOI:10.5012/bkcs.2010.31.03.724

Reference yield:

1,3,5-triethylbenzene (102-25-0) → 1,3,5-tris(bromomethyl)-2,4,6-triethylbenzene (181058-08-2)

Guidance literature:

Multi-step reaction with 2 steps

1: HOAc; HBr

2: HOAc; KBr; H₂SO₄

With sulfuric acid; hydrogen bromide; acetic acid; potassium bromide;

DOI:10.1021/ac050117b

upstream raw materials:

formaldehyd

1,3,5-triethylbenzene

benzene

paracetaldehyde

Downstream raw materials:

1,3,5-triethyl-2,4,6-tris(aminomethyl)benzene

1,3,5-tris(cyanomethyl)-2,4,6-triethylbenzene

1,3,5-triethyl-2,4,6-tris(carboxymethyl)benzene

1,3,5-tris(3-methoxybenzyl)-2,4,6-triethylbenzene

Refernces

• 1、 Li, Hui Fang Jie,Fu, Wen Fu. "Synthesis of a novel tripodal receptor based on 1,8-naphthyridine derivatives". . p. 23 - 26. Retrieved 2010.
• 2、 Cacciarmi, Martina,Cordiano, Elisa,Nativi, Cristina,Rodens, Stefano. "A tricatecholic receptor for carbohydrate recognition: Synthesis and binding studies". . p. 3933 - 3936. Retrieved 2007.
• 3、 -. "HEXASUBSTITUTED BENZENES, SURFACES MODIFIED THEREWITH, AND ASSOCIATED METHODS". Paragraph 0028; 0154. . Retrieved 2021/03/19.
• 4、 Kunde, Tom,Pausch, Tobias,Schmidt, Bernd M.. "Supramolecular Alloys from Fluorinated Hybrid Tri4Di6 Imine Cages". supporting information. p. 8457 - 8460. Retrieved 2021/05/24.