CAS NO not returning structures

User 8688ffe688

26-04-2016 22:16:35

We are finding more and more cas nos. not recognized by JChem.  See list below:


7368-78-7     4-bromo-2-methoxyphenol


1722-12-9     2-chloropyrimidine


2563-26-0    4,5-dibromobenzene-1,2-diol


97-62-1     Ethyl isobutyrate


3395-03-7    1,2-dimethoxy-4,5-dinitrobenzene


37942-01-1     5-bromo-2-methoxyphenol


3934-20-1     2,4-dichloropyrimidine


18162-48-6     Tert-butyldimethylsilyl chloride


7782-61-8    Iron(III) nitrate nonahydrate


2712-78-9    [bis(trifluoroacetoxy)iodo]benzene


122-31-6   1,1,3,3-tetraethoxypropane


98327-87-8  Rac-2,2’-Bis(diphenylphosphino)-1,1’-binaphthyl


3240-34-4     (diacetoxyiodo)benzene


161265-03-8     4,5-bis(diphenylphosphino)-9,9-dimethylxanthene


1070-89-9      Sodium bis(trimethylsilyl)amide


931-03-3      
1H-pyrrole-3-carboxylic acid


2703-17-5      Methyl
1H-pyrrole-3-carboxylate


78-82-0   Isobutyronitrile


7368-78-7    4-Bromo-2-methoxyphenol

ChemAxon e7b9408ca1

27-04-2016 08:32:18

Which version of Java are you using?


It seems there have been changes in the webservice resolving CAS numbers, and now Java 8 is required.

User 8688ffe688

16-05-2016 19:51:17

Updated to JDK 1.8.0_91 and this did not resolve the problem.  I'll try upgrading to latest JChemBase.

User 8688ffe688

16-05-2016 19:58:22

Could the switch from http to https cause some problems here.  See announcement from Cactus website.


 


The CACTUS web server has been migrated to a significantly reconfigured system on new hardware
(with a new IPv4 address). The HTTPS protocol has been enabled for all services.
HTTP has been permanently turned off on March 31st, 2016.
https:// requests will from now on be redirected to the corresponding https:// request.
If you encounter any bugs or behavior different from the old server, please let us know immediately.

User 8688ffe688

16-05-2016 20:50:20

Does not seem like an issue with JDK see error log:


SEVERE: Not allowed: mol
WARNING: Not caching mapping '75-64-9' -> '<!DOCTYPE HTML PUBLIC "-//IETF//DTD HTML 2.0//EN">
<html><head>
<title>301 Moved Permanently</title>
</head><body>
<h1>Moved Permanently</h1>
<p>The document has moved <a href="https://cactus.nci.nih.gov/chemical/structure/75-64-9/smiles">here</a>.</p>
<hr>
<address>Apache/2.2.15 (CentOS) Server at cactus.nci.nih.gov Port 80</address>
</body></html>'


Looks like JChem needs to update the service protocol from http to https.


 

ChemAxon e7b9408ca1

17-05-2016 13:45:07

Thank you for your investigations.


Are you using an older version of JChem? Recent versions follow this redirection, and the conversion works.

User 8688ffe688

17-05-2016 13:47:59

Yes, using older version of JChem.  Glad to hear that the newer versions have this problem resolved.  I will plan for an upgrade.