2-(6-Bromohexyl)-5-nitroisoindoline-1,3-dione

Base Information

• Chemical Name: 2-(6-Bromohexyl)-5-nitroisoindoline-1,3-dione
• CAS No.: 140715-57-7
• Molecular Formula: C₁₄H₁₅BrN₂O₄
• Molecular Weight: 355.188
• Hs Code.: 2925190090
• DSSTox Substance ID: DTXSID90370805
• Wikidata: Q82157966
• Mol file: 140715-57-7.mol

Synonyms:140715-57-7;2-(6-Bromohexyl)-5-nitroisoindoline-1,3-dione;2-(6-bromohexyl)-5-nitroisoindole-1,3-dione;DTXSID90370805;N-(6-Bromohex-1-yl)-4-nitrophthalimide;FT-0608707;2-(6-Bromohexyl)-5-nitro-1H-isoindole-1,3(2H)-dione;2-(6-bromohexyl)-5-nitro-2,3-dihydro-1H-isoindole-1,3-dione

Chemical Property of 2-(6-Bromohexyl)-5-nitroisoindoline-1,3-dione

Chemical Property:

• Vapor Pressure: 2.95E-09mmHg at 25°C
• Melting Point: 83-85
• Refractive Index: 1.606
• Boiling Point: 476.8°Cat760mmHg
• Flash Point: 242.2°C
• PSA: 83.20000
• Density: 1.536g/cm³
• LogP: 3.60720
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 354.02152
• Heavy Atom Count: 21
• Complexity: 424

Purity/Quality:

98%min ^*data from raw suppliers

N-(6-Bromohex-1-yl)-4-nitrophthalimide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CCCCCCBr

Technology Process of 2-(6-Bromohexyl)-5-nitroisoindoline-1,3-dione

There total 1 articles about 2-(6-Bromohexyl)-5-nitroisoindoline-1,3-dione 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:

1 ,6-dibromohexane (629-03-8) + 4-nitrophthalimide (89-40-7) → 2-(6-Bromo-hexyl)-5-nitro-isoindole-1,3-dione (140715-57-7)

Guidance literature:

With sodium hydride; Yield given. Multistep reaction; 1.) DMF, 60 deg C, 30 min, 2.) DMF, acetone, reflux, 16 h;

DOI:10.1248/cpb.39.3225

Reference yield:

2-(6-Bromo-hexyl)-5-nitro-isoindole-1,3-dione (140715-57-7) + benzyl-methyl-amine (103-67-3) → 2-[6-(Benzyl-methyl-amino)-hexyl]-5-nitro-isoindole-1,3-dione

Guidance literature:

In toluene; for 6h; Ambient temperature;

DOI:10.1248/cpb.39.3225

Reference yield:

N-ethylbenzylamine (14321-27-8) + 2-(6-Bromo-hexyl)-5-nitro-isoindole-1,3-dione (140715-57-7) → 2-[6-(Benzyl-ethyl-amino)-hexyl]-5-nitro-isoindole-1,3-dione

Guidance literature:

In toluene; for 6h; Ambient temperature;

DOI:10.1248/cpb.39.3225

upstream raw materials:

1 ,6-dibromohexane

4-nitrophthalimide