4'-Isocyanatobenzo-15-crown-5

Base Information

Chemical Name:4'-Isocyanatobenzo-15-crown-5
CAS No.:83935-62-0
Molecular Formula:C₁₅H₁₉NO₆
Molecular Weight:309.319
Hs Code.:
DSSTox Substance ID:DTXSID70369151
Mol file:83935-62-0.mol

Synonyms:4'-ISOCYANATOBENZO-15-CROWN-5;83935-62-0;SCHEMBL21124236;DTXSID70369151;4'-isocyanatobenzo-15-crown-5, AldrichCPR

Suppliers and Price of 4'-Isocyanatobenzo-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'-ISOCYANATOBENZO-15-CROWN-5 95.00%
250MG
$ 692.49

Total 5 raw suppliers

Chemical Property of 4'-Isocyanatobenzo-15-crown-5

Chemical Property:

Vapor Pressure:1.13E-08mmHg at 25°C
Melting Point:35-39 °C
Refractive Index:1.5080 (estimate)
Boiling Point:460.8°C at 760 mmHg
Flash Point:202.6°C
PSA：75.58000
Density:1.22g/cm³
LogP:1.47490
XLogP3:1.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:1
Exact Mass:309.12123733
Heavy Atom Count:22
Complexity:347

Purity/Quality:

98%Min ^*data from raw suppliers

4'-ISOCYANATOBENZO-15-CROWN-5 95.00% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1COCCOC2=C(C=C(C=C2)N=C=O)OCCOCCO1

Technology Process of 4'-Isocyanatobenzo-15-crown-5

There total 3 articles about 4'-Isocyanatobenzo-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: 87.0%

: 75-44-5
phosgene

: 60835-71-4
4'-aminobenzo-15-crown-5-ether

: 83935-62-0
2-Isocyanato-6,7,9,10,12,13,15,16-octahydro-5,8,11,14,17-pentaoxa-benzocyclopentadecene

Guidance literature:: In chlorobenzene; Heating;

Reference yield:

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

: 83935-62-0
2-Isocyanato-6,7,9,10,12,13,15,16-octahydro-5,8,11,14,17-pentaoxa-benzocyclopentadecene

Guidance literature:: Multi-step reaction with 2 steps

1: H₂ / Ra-Ni / methanol; H₂O

2: 87 percent / chlorobenzene / Heating

With hydrogen; Ra-Ni; In methanol; water; chlorobenzene;