1-Pyrenehexanoic acid

Base Information

Chemical Name:1-Pyrenehexanoic acid
CAS No.:90936-85-9
Molecular Formula:C₂₂H₂₀O₂
Molecular Weight:316.4
Hs Code.:
European Community (EC) Number:685-081-6
DSSTox Substance ID:DTXSID60238327
Nikkaji Number:J1.185.137A
Wikidata:Q83120618
Mol file:90936-85-9.mol

Synonyms:6-pyrenylhexanoic acid

Suppliers and Price of 1-Pyrenehexanoic acid

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
6-(1-PYRENYL)HEXANOIC ACID 95.00%
100MG
$ 667.01

Total 4 raw suppliers

Chemical Property of 1-Pyrenehexanoic acid

Chemical Property:

Vapor Pressure:5E-13mmHg at 25°C
Melting Point:199-201 °C(lit.)
Refractive Index:1.731
Boiling Point:552.2 °C at 760 mmHg
PKA:4.77±0.10, most acidic, temperature: 25°C
Flash Point:448.5 °C
PSA：37.30000
Density:1.238 g/cm³
LogP:5.77150
Solubility.:DMF: soluble
XLogP3:6.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:316.146329876
Heavy Atom Count:24
Complexity:445

Purity/Quality:

98%Min ^*data from raw suppliers

6-(1-PYRENYL)HEXANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCCCC(=O)O

Technology Process of 1-Pyrenehexanoic acid

There total 3 articles about 1-Pyrenehexanoic acid 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:

: 6-Oxo-6-pyren-1-yl-hexanoic acid

: 90936-85-9
1-pyrenehexanoic acid

Guidance literature:: With hydrazine hydrate;
DOI:10.1021/j100373a036

Reference yield:

: 1071-71-2
ethyl 6-chloro-6-oxohexanoate

: 90936-85-9
1-pyrenehexanoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 1) Friedel-Crafts reaction

2: hydrazine hydrate

With hydrazine hydrate;
DOI:10.1021/j100373a036

Reference yield:

: 129-00-0
pyrene

: 90936-85-9
1-pyrenehexanoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 1) Friedel-Crafts reaction

2: hydrazine hydrate

With hydrazine hydrate;
DOI:10.1021/j100373a036