Calanolide A

Base Information

Chemical Name:Calanolide A
CAS No.:142632-32-4
Molecular Formula:C₂₂H₂₆O₅
Molecular Weight:370.445
Hs Code.:
NSC Number:675451
UNII:S5A9TQN46W
DSSTox Substance ID:DTXSID601316787
Nikkaji Number:J500.414D
Wikipedia:Calanolide_A
Wikidata:Q5018528
Metabolomics Workbench ID:63971
ChEMBL ID:CHEMBL267447
Mol file:142632-32-4.mol

Synonyms:calanolide A;calanolide F;costatolide;NSC 661122

Suppliers and Price of Calanolide A

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

TRC
(+)-CalanolideA
10mg
$ 1320.00

American Custom Chemicals Corporation
(+)-(10R,11S,12S)-12-HYDROXY-6,6,10,11-TETRAMETHYL-4-PROPYL-11,12-DIHYDRO-2H,6H,10H-BENZO(1,2-B:3,4-B':5,6-B'']TRIPYRAN-2-ONE 95.00%
5MG
$ 501.47

Total 37 raw suppliers

Chemical Property of Calanolide A

Chemical Property:

Vapor Pressure:2E-11mmHg at 25°C
Boiling Point:514.8°Cat760mmHg
Flash Point:177.2°C
PSA：68.90000
Density:1.181g/cm³
LogP:4.38010
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:370.17802393
Heavy Atom Count:27
Complexity:666

Purity/Quality:

98%,99%, ^*data from raw suppliers

(+)-CalanolideA ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2C(C(C(O4)C)C)O
Isomeric SMILES:CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2[C@H]([C@@H]([C@H](O4)C)C)O
Recent ClinicalTrials:A Study to Evaluate the Safety and Effectiveness of a New Non-Nucleoside Reverse Transcriptase Inhibitor (NNRTI), (+)-Calanolide A, in HIV-Positive Patients Who Have Never Received Anti-HIV Treatment
Uses (+)-Calanolide A is an experimental non-nucleoside reverse transcriptase inhibitor. It has potent anti-HIV activity.

Technology Process of Calanolide A

There total 20 articles about Calanolide A 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: 88.0%

: 107-86-8
3,3-dimethyl acrylaldehyde

: 685844-44-4
5-hydroxy-8,9-dimethyl-4-propyl-8,9-dihydro-pyrano[2,3-f]chromene-2,10-dione

: 142632-33-5
(+)-calanolide B

: 142632-32-4
(+)-calanolide A

Guidance literature:: 3,3-dimethyl acrylaldehyde; 5-hydroxy-8,9-dimethyl-4-propyl-8,9-dihydro-pyrano[2,3-f]chromene-2,10-dione; With propionic acid; phenylboronic acid; In toluene; for 1.5h; Heating;

With lithium aluminium tetrahydride; tert-butyl alcohol; In tetrahydrofuran;

Reference yield: 81.0%

: 142632-32-4
(+)-calanolide A

Guidance literature:

Reference yield: 80.0%

: 183904-55-4,161753-49-7
HI-D₈₆

: 142632-33-5
(+)-calanolide B

: 142632-32-4
(+)-calanolide A

Guidance literature:: HI-D₈₆; With lithium tri-t-butoxyaluminum hydride; In tetrahydrofuran; at -15 - 20 ℃; for 15.5h;

With hydrogenchloride; In tetrahydrofuran; water; pH=3;