1-Dodecyloxy-2-nitrobenzene

Base Information

• Chemical Name: 1-Dodecyloxy-2-nitrobenzene
• CAS No.: 83027-71-8
• Molecular Formula: C18H29NO3
• Molecular Weight: 307.433
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID40337928
• Nikkaji Number: J460.748A
• Wikidata: Q82106035
• Mol file: 83027-71-8.mol

Synonyms:1-Dodecyloxy-2-nitrobenzene;83027-71-8;1-(Dodecyloxy)-2-nitrobenzene;2-Nitrophenyl dodecyl ether;1-dodecoxy-2-nitrobenzene;Dodecyl 2-nitrophenyl ether;Benzene, 1-(dodecyloxy)-2-nitro-;ETH 217;o-nitrophenyl dodecyl ether;SCHEMBL2304857;DTXSID40337928;ETH-217;1-(Dodecyloxy)-2-nitrobenzene #;MFCD00024221;AKOS024319104;AS-75567;CS-0160291;FT-0641895;D85981;Dodecyl 2-nitrophenyl ether, Selectophore(TM), >=99.0%

Chemical Property of 1-Dodecyloxy-2-nitrobenzene

Chemical Property:

• Vapor Pressure: 9.15E-07mmHg at 25°C
• Refractive Index: n20/D 1.503
• Boiling Point: 218 °C1.5 mm Hg(lit.)
• Flash Point: 109 °C
• PSA: 55.05000
• Density: 0.999 g/mL at 20 °C(lit.)
• LogP: 6.41770
• XLogP3: 7.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 307.21474379
• Heavy Atom Count: 22
• Complexity: 278

Purity/Quality:

98%Min ^*data from raw suppliers

Dodecyl 2-nitrophenyl ether Selectophore ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCOC1=CC=CC=C1[N+](=O)[O-]

Technology Process of 1-Dodecyloxy-2-nitrobenzene

There total 4 articles about 1-Dodecyloxy-2-nitrobenzene 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: 83.0%

1-dodecylbromide (143-15-7) + 2-hydroxynitrobenzene (88-75-5,78813-12-4) → dodecyl 2-nitrophenyl ether (83027-71-8)

Guidance literature:

With potassium carbonate; In acetone; room temperature, 48 h; reflux, 120 h;

DOI:10.1002/hlca.19850680826

Reference yield:

potassium 4-nitrophenolate (1124-31-8) + 1-chlorododecane (112-52-7) → dodecyl 2-nitrophenyl ether (83027-71-8)

Guidance literature:

With ethanol; zinc(II) chloride; at 180 ℃;

Reference yield:

1-Iodododecane (4292-19-7) + silver(I) 2-nitrophenoxide (86255-27-8) → dodecyl 2-nitrophenyl ether (83027-71-8)

Guidance literature:

With benzene;

upstream raw materials:

1-Iodododecane

silver(I) 2-nitrophenoxide

dodecyl 4-methylbenzenesulphonate

sodium o-nitrophenate

Downstream raw materials:

C₂₆H₃₅NO₄

2-dodecyloxy-N,N-dimethyl-aniline

2-dodecyloxyaniline

Refernces

• 1、 Tong, Yuan Feng,Zhang, Pei,Chen, Feng,Hao, Ling Hua,Ye, Fei,Tian, Jin Ying,Wu, Song. "Synthesis and biological evaluation of novel N-(alkoxyphenyl)-aminocarbonylbenzoic acid derivatives as PTP1B inhibitors". scheme or table. p. 1415 - 1418. Retrieved 2011/10/09.