Batatasin IV

Base Information

Chemical Name:Batatasin IV
CAS No.:60347-67-3
Molecular Formula:C15H16O3
Molecular Weight:244.29
Hs Code.:2909500000
DSSTox Substance ID:DTXSID50209107
Nikkaji Number:J17.991D
Wikidata:Q27105920
Metabolomics Workbench ID:27973
ChEMBL ID:CHEMBL228126
Mol file:60347-67-3.mol

Synonyms:Batatasin IV;60347-67-3;3-[2-(2-hydroxyphenyl)ethyl]-5-methoxyphenol;3-[2-(2-hydroxyphenyl)ethyl]-5-methoxy-phenol;CHEBI:2997;CHEMBL228126;2',3-dihydroxy-5-methoxybibenzyl;DTXSID50209107;EX-A6737;2,3'-Dihydroxy-5'-methoxybibenzyl;BDBM50211956;LMPK13090032;2-(3-hydroxy-5-methoxyphenethyl)phenol;Phenol, 3-(2-(2-hydroxyphenyl)ethyl)-5-methoxy-;3-[2-(2-Hydroxyphenyl)ethyl]-5-methoxyphenol, 9CI;Q27105920;1-(2-Hydroxyphenyl)-2-(3-hydroxy-5-methoxyphenyl)ethane;8KW

Suppliers and Price of Batatasin IV

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

Total 12 raw suppliers

Chemical Property of Batatasin IV

Chemical Property:

Vapor Pressure:1.57E-07mmHg at 25°C
Boiling Point:416.5°C at 760 mmHg
Flash Point:205.7°C
PSA：49.69000
Density:1.198g/cm³
LogP:2.89160
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:244.109944368
Heavy Atom Count:18
Complexity:244

Purity/Quality:: 99%, ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC(=CC(=C1)O)CCC2=CC=CC=C2O

Technology Process of Batatasin IV

There total 9 articles about Batatasin IV 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: 96.0%

: 2-[3-(benzyloxy)-5-methoxyphenyl]-1-[o-(benzyloxy)phenyl]ethyne

: 60347-67-3
3-[2-(2-hydroxyphenyl)ethyl]-5-methoxyphenol

Guidance literature:: With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 2h;
DOI:10.1016/j.tetlet.2020.152547

Reference yield:

: C₂₂H₂₀O₃

: 60347-67-3
3-[2-(2-hydroxyphenyl)ethyl]-5-methoxyphenol

Guidance literature:: C₂₂H₂₀O₃; With iodine; In cyclohexane; for 8h; UV-irradiation;

With palladium on activated charcoal; hydrogen; In methanol; at 20 ℃; for 12h;
DOI:10.1039/c5ra15328j

Reference yield:

: 50637-28-0
(3-(benzyloxy)-5-methoxyphenyl)methanol

: 60347-67-3
3-[2-(2-hydroxyphenyl)ethyl]-5-methoxyphenol

Guidance literature:: Multi-step reaction with 4 steps

1.1: phosphorus tribromide / dichloromethane / 2 h / 20 °C

2.1: tetrabutylammomium bromide / 4 h / 125 °C

3.1: sodium hydride / tetrahydrofuran / 3 h / 20 °C

4.1: iodine / cyclohexane / 8 h / UV-irradiation

4.2: 12 h / 20 °C

With tetrabutylammomium bromide; iodine; phosphorus tribromide; sodium hydride; In tetrahydrofuran; dichloromethane; cyclohexane; 3.1: |Wittig Olefination;
DOI:10.1039/c5ra15328j