4'-Amino-5'-nitrobenzo-15-crown-5

Base Information

Chemical Name:4'-Amino-5'-nitrobenzo-15-crown-5
CAS No.:77001-50-4
Molecular Formula:C14H20 N2 O7
Molecular Weight:328.322
Hs Code.:
European Community (EC) Number:636-021-2
DSSTox Substance ID:DTXSID90408293
Nikkaji Number:J3.565.130F
Wikidata:Q82213725
Mol file:77001-50-4.mol

Synonyms:4'-Amino-5'-nitrobenzo-15-crown-5;77001-50-4;18-nitro-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-amine;16-nitro-2,3,5,6,8,9,11,12-octahydrobenzo[b][1,4,7,10,13]pentaoxacyclopentadecin-15-amine;4,-Amino-5'-nitrobenzo-15-crown-5;16-nitro-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-amine;SCHEMBL1247180;DTXSID90408293;AKOS001586291;AKOS015889249;FT-0719406;4'-Amino-5'-nitrobenzo-15-crown-5, 97%;SR-01000390010;SR-01000390010-1

Suppliers and Price of 4'-Amino-5'-nitrobenzo-15-crown-5

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
4'-AMINO-5'-NITROBENZO-15-CROWN-5 97.00%
1G
$ 999.92

Total 7 raw suppliers

Chemical Property of 4'-Amino-5'-nitrobenzo-15-crown-5

Chemical Property:

Vapor Pressure:3.08E-11mmHg at 25°C
Melting Point:148-151 °C(lit.)
Refractive Index:1.517
Boiling Point:528°C at 760 mmHg
Flash Point:273.2°C
PSA：117.99000
Density:1.237g/cm³
LogP:2.10240
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:0
Exact Mass:328.12705098
Heavy Atom Count:23
Complexity:353

Purity/Quality:

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

4'-AMINO-5'-NITROBENZO-15-CROWN-5 97.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1COCCOC2=C(C=C(C(=C2)N)[N+](=O)[O-])OCCOCCO1

Technology Process of 4'-Amino-5'-nitrobenzo-15-crown-5

There total 5 articles about 4'-Amino-5'-nitrobenzo-15-crown-5 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: 70.0%

: 77001-49-1
15-(Acetylamino)-16-nitrobenzo<15>krone-5

: 77001-50-4
4'-amino-5'-nitrobenzo<15-crown-5>

Guidance literature:: With hydrogenchloride; Heating;

Reference yield:

: 60835-69-0
4'-nitrobenzo-15-crown-5

: 77001-50-4
4'-amino-5'-nitrobenzo<15-crown-5>

Guidance literature:: Multi-step reaction with 3 steps

1: H₂ / Ra-Ni / methanol; H₂O

2: 2) nitric acid / 1) glacial acetic acid, 80 deg C, 1 h, 2) 60 deg C

3: 70 percent / 18percent aq. HCl / Heating

With hydrogenchloride; hydrogen; nitric acid; Ra-Ni; In methanol; water;

Reference yield:

: 14098-44-3
2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin

: 77001-50-4
4'-amino-5'-nitrobenzo<15-crown-5>

Guidance literature:: Multi-step reaction with 4 steps

1: 67 percent / 70percent HNO₃ / CHCl₃; acetic acid / 24 h / Ambient temperature

2: 85 percent / H₂ / 10percent Pd/C / acetic acid / 24 h / 20 °C / 37503 Torr

3: 73 percent / 70percent HNO₃ / acetic acid; CHCl₃ / Ambient temperature

4: 55 percent / conc. HCl / 0.33 h / Heating

With hydrogenchloride; hydrogen; nitric acid; palladium on activated charcoal; In chloroform; acetic acid;