Isolapachol

Base Information

Chemical Name:Isolapachol
CAS No.:4042-39-1
Molecular Formula:C15H14O3
Molecular Weight:242.274
Hs Code.:
NSC Number:629755,92200
DSSTox Substance ID:DTXSID60418788
Nikkaji Number:J13.482A
Wikidata:Q82229471
ChEMBL ID:CHEMBL62718
Mol file:4042-39-1.mol

Synonyms:Isolapachol;NSC629755;CHEMBL62718;4042-39-1;1,4-Naphthalenedione, 2-hydroxy-3-(3-methyl-1-butenyl)-;1,4-Naphthoquinone, 2-hydroxy-3-(3-methyl-1-butenyl)-;DTXSID60418788;FHECNCZIYPTBRB-BQYQJAHWSA-N;NSC92200;BDBM50523229;NSC-92200;NSC-629755;1, 2-hydroxy-3-(3-methyl-1-butenyl)-;2-Hydroxy-3-[(1E)-3-methylbut-1-enyl]naphthoquinone;2-Hydroxy-3-[(1E)-3-methyl-1-butenyl]naphthoquinone #;2-hydroxy-3-[(E)-3-methylbut-1-enyl]naphthalene-1,4-dione

Suppliers and Price of Isolapachol

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 6 raw suppliers

Chemical Property of Isolapachol

Chemical Property:

Vapor Pressure:2.5E-07mmHg at 25°C
Boiling Point:406.2°C at 760 mmHg
Flash Point:213.6°C
PSA：54.37000
Density:1.31g/cm³
LogP:3.08990
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:242.094294304
Heavy Atom Count:18
Complexity:429

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)C=CC1=C(C2=CC=CC=C2C(=O)C1=O)O
Isomeric SMILES:CC(C)/C=C/C1=C(C2=CC=CC=C2C(=O)C1=O)O

Technology Process of Isolapachol

There total 3 articles about Isolapachol 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: 90.0%

: 83-72-7
2-hydroxynaphtho-1,4-quinone

: 590-86-3
isovaleraldehyde

: 4042-39-1
2-hydroxy-3-(3-methylbut-1-en-1-yl)naphthalene-1,4-dione

Guidance literature:: With acetic acid; 3-amino propanoic acid; In toluene; for 1h; Reflux; Dean-Stark;
DOI:10.21577/0103-5053.20180146

Reference yield: 48.0%

: 83-72-7
2-hydroxynaphtho-1,4-quinone

: 590-86-3
isovaleraldehyde

: 4042-39-1
2-hydroxy-3-(3-methylbut-1-en-1-yl)naphthalene-1,4-dione

: 106823-01-2
C₂₅H₂₀O₆

Guidance literature:: With triethylamine; In acetonitrile; for 1.33333h; Heating;

Reference yield: 33.0%

: 83-72-7
2-hydroxynaphtho-1,4-quinone

: 563-45-1
3-Methyl-1-butene

: 84-79-7
Lapachol

: 4042-39-1
2-hydroxy-3-(3-methylbut-1-en-1-yl)naphthalene-1,4-dione

Guidance literature:: With copper diacetate; sodium acetate; palladium diacetate; In tetrahydrofuran; at 20 ℃; for 3h; Mechanism; Catalytic behavior;
DOI:10.1021/acs.orglett.5b01304