1,2-Benzenediamine, 4,5-bis(hexyloxy)-

Base Information

• Chemical Name: 1,2-Benzenediamine, 4,5-bis(hexyloxy)-
• CAS No.: 86723-21-9
• Molecular Formula: C18H32N2O2
• Molecular Weight: 308.464
• DSSTox Substance ID: DTXSID80469858
• Nikkaji Number: J1.864.815F
• Wikidata: Q82297762
• Mol file: 86723-21-9.mol

Synonyms:86723-21-9;1,2-Benzenediamine, 4,5-bis(hexyloxy)-;4,5-Bis(hexyloxy)benzene-1,2-diamine;4,5-dihexoxybenzene-1,2-diamine;SCHEMBL1979664;DTXSID80469858

Chemical Property of 1,2-Benzenediamine, 4,5-bis(hexyloxy)-

Chemical Property:

• Boiling Point: 453.7±40.0 °C(Predicted)
• PSA: 70.50000
• Density: 1.004±0.06 g/cm3(Predicted)
• LogP: 5.93160
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 308.246378268
• Heavy Atom Count: 22
• Complexity: 238

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC1=C(C=C(C(=C1)N)N)OCCCCCC

Technology Process of 1,2-Benzenediamine, 4,5-bis(hexyloxy)-

There total 4 articles about 1,2-Benzenediamine, 4,5-bis(hexyloxy)- 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: 90.0%

1,2-bis(hexyloxy)-4,5-dinitrobenzene (695816-73-0) → 1,2-bis(hexyloxy)-4,5-diaminobenzene (86723-21-9)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; for 6h; under 1520 Torr;

DOI:10.1021/jo035840l

Reference yield:

1-bromo-hexane (111-25-1) → 1,2-bis(hexyloxy)-4,5-diaminobenzene (86723-21-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 96 percent / potassium carbonate / acetone / 48 h / Heating

2: 76 percent / nitric acid; acetic acid / CH₂Cl₂; H₂O / 0 - 20 °C

3: 90 percent / hydrogen / Pd/C / ethanol / 6 h / 1520 Torr

With hydrogen; nitric acid; potassium carbonate; acetic acid; palladium on activated charcoal; In ethanol; dichloromethane; water; acetone;

DOI:10.1021/jo035840l

Reference yield:

1,2-dihexyloxybenzene (94259-20-8) → 1,2-bis(hexyloxy)-4,5-diaminobenzene (86723-21-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 76 percent / nitric acid; acetic acid / CH₂Cl₂; H₂O / 0 - 20 °C

2: 90 percent / hydrogen / Pd/C / ethanol / 6 h / 1520 Torr

With hydrogen; nitric acid; acetic acid; palladium on activated charcoal; In ethanol; dichloromethane; water;

DOI:10.1021/jo035840l

upstream raw materials:

1,2-bis(hexyloxy)-4,5-dinitrobenzene

1-bromo-hexane

1,2-dihexyloxybenzene

benzene-1,2-diol

Downstream raw materials:

C₇₈H₁₀₂N₆O₁₂

(SC₄H₃C₆H₃(OH)CHN)2C₆H₂(OC₆H₁₃)2

(HO)2C₆H₂(CHNC₆H₂(OC₆H₁₃)2NH₂)2

5,6-bis-hexyloxy-benzo[1,2,5]thiadiazole