Rooperol

Base Information

Chemical Name:Rooperol
CAS No.:83644-00-2
Molecular Formula:C17H14 O4
Molecular Weight:282.296
Hs Code.:2907299090
DSSTox Substance ID:DTXSID101318740
Nikkaji Number:J632.514I
Mol file:83644-00-2.mol

Synonyms:1,5-bis(3',4'-dihydroxyphenyl)pent-4-en-1-yne;P2-BDHPP;rooperol

Suppliers and Price of Rooperol

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
ROOPEROL 95.00%
5MG
$ 504.88

Total 18 raw suppliers

Chemical Property of Rooperol

Chemical Property:

Boiling Point:572.4oC at 760 mmHg
Flash Point:277.9oC
PSA：80.92000
Density:1.43g/cm3
LogP:2.96400
XLogP3:3.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:282.08920892
Heavy Atom Count:21
Complexity:419

Purity/Quality:

99% ^*data from raw suppliers

ROOPEROL 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C=C1C=CCC#CC2=CC(=C(C=C2)O)O)O)O
Isomeric SMILES:C1=CC(=C(C=C1/C=C/CC#CC2=CC(=C(C=C2)O)O)O)O

Technology Process of Rooperol

There total 10 articles about Rooperol 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: 65.0%

: (E)-((pent-1-en-4-yne-1,5-diylbis(benzene-4,1,2-triyl))tetrakis(oxy))tetrakis(tert-butyldimethylsilane)

: 83644-00-2
(E)-1,5-bis(3',4'-dihydroxyphenyl)pent-4-en-1-yne

Guidance literature:: With potassium fluoride; hydrogen bromide; acetic acid; In N,N-dimethyl-formamide; at 0 ℃; for 1.5h; Inert atmosphere;
DOI:10.1016/j.tetlet.2013.10.138

Reference yield:

: 83643-94-1
(E)-1,5-bis-(4'-β-D-glucopyranosyloxy-3'-hydroxyphenyl)pent-1-en-4-yne

: 50-99-7,59-23-4,921-60-8,1949-88-8,1990-29-0,2152-76-3,2595-97-3,2595-98-4,3458-28-4,4205-23-6,5934-56-5,5978-95-0,5987-68-8,6027-89-0,6038-51-3,7635-11-2,10030-80-5,15572-79-9,19163-87-2,23567-25-1,26566-61-0,30077-17-9,31103-86-3,39665-52-6,40866-07-7,58367-01-4,58407-05-9,58407-06-0,83198-69-0,83198-70-3,83198-71-4,93780-23-5,145920-48-5
D-glucose

: 83644-00-2
(E)-1,5-bis(3',4'-dihydroxyphenyl)pent-4-en-1-yne

Guidance literature:: With β-glucosidase; In water; at 36 ℃; for 3h; pH 5.5;
DOI:10.1016/0040-4020(82)80147-6

Reference yield:

: 99815-16-4
3,4-bis(tert-butyldimethylsilanyloxy)benzaldehyde

: 83644-00-2
(E)-1,5-bis(3',4'-dihydroxyphenyl)pent-4-en-1-yne

Guidance literature:: Multi-step reaction with 4 steps

1: Zn, Ph₃P

2: 60 percent / nBuLi / tetrahydrofuran / -78 deg C, 60 min, RT, 20 min

3: 35 percent / tBuLi, Cu(I)Cl / tetrahydrofuran / 1.) -78 deg C, 2.) RT, 10 min, reflux

4: tetraethylammonium fluoride / tetrahydrofuran / 0.75 h / Ambient temperature

With copper(l) iodide; n-butyllithium; tert.-butyl lithium; tetraethylammonium fluoride; triphenylphosphine; zinc; In tetrahydrofuran;
DOI:10.1016/0031-9422(88)80282-6