Ugi Chemicals Table
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soseback
Jan 22, 2008, 11:43:02 PM1/22/08
to UsefulChem
Just to let the all the lab collaborators know, I have inserted a link
to a new Google Document of the Ugi Chemicals that we are using so we
have all the densities, molecular weights, concentration, along with
the masses or volumes usually used in the Ugi product reactions. This
will replace the page that is currently at the bottom of the All
Reactions page, which is currently through the
showme.physics.drexel.edu server which is not easily updated. The link
for the new table is in the navigation bar of the page, so please let
me know if it didn't work.
Please add to this table as you prepare your reactions, because we use
a lot of the chemicals for more than one Ugi product and this can
really cut down on the tedious prep time and give us more time to get
experiments done. Just a reminder, all density and molecular weights
for this page should come from Sigma Aldrich or a similar supplier and
NOT from ChemSpider, which lists the predicted values not the
experimental.
to a new Google Document of the Ugi Chemicals that we are using so we
have all the densities, molecular weights, concentration, along with
the masses or volumes usually used in the Ugi product reactions. This
will replace the page that is currently at the bottom of the All
Reactions page, which is currently through the
showme.physics.drexel.edu server which is not easily updated. The link
for the new table is in the navigation bar of the page, so please let
me know if it didn't work.
Please add to this table as you prepare your reactions, because we use
a lot of the chemicals for more than one Ugi product and this can
really cut down on the tedious prep time and give us more time to get
experiments done. Just a reminder, all density and molecular weights
for this page should come from Sigma Aldrich or a similar supplier and
NOT from ChemSpider, which lists the predicted values not the
experimental.
Jean-Claude Bradley
Jan 23, 2008, 6:43:51 AM1/23/08
to usefu...@googlegroups.com
Thanks Shannon!
I modified your link on the wiki navigation bar to the published version:
http://spreadsheets.google.com/pub?key=pHKVXFRF5xKtqkyXJX8DqOA
This way even people who are not collaborators can use the info. In order to modify just scroll down to the bottom of the page and click edit. To do this on any GoogleDoc you need to go to the publish tab.
--
Jean-Claude Bradley, Ph. D.
E-Learning Coordinator for the College of Arts and Sciences
Associate Professor of Chemistry
Drexel University
http://drexel-coas-elearning.blogspot.com
http://drexel-coas-talks-mp3-podcast.blogspot.com/
http://usefulchem.blogspot.com
I modified your link on the wiki navigation bar to the published version:
http://spreadsheets.google.com/pub?key=pHKVXFRF5xKtqkyXJX8DqOA
This way even people who are not collaborators can use the info. In order to modify just scroll down to the bottom of the page and click edit. To do this on any GoogleDoc you need to go to the publish tab.
Jean-Claude Bradley, Ph. D.
E-Learning Coordinator for the College of Arts and Sciences
Associate Professor of Chemistry
Drexel University
http://drexel-coas-elearning.blogspot.com
http://drexel-coas-talks-mp3-podcast.blogspot.com/
http://usefulchem.blogspot.com
Egon Willighagen
Jan 23, 2008, 7:45:42 AM1/23/08
to usefu...@googlegroups.com
On Jan 23, 2008 12:43 PM, Jean-Claude Bradley
<jeanclaud...@gmail.com> wrote:
> Thanks Shannon!
> I modified your link on the wiki navigation bar to the published version:
> http://spreadsheets.google.com/pub?key=pHKVXFRF5xKtqkyXJX8DqOA
<jeanclaud...@gmail.com> wrote:
> Thanks Shannon!
> I modified your link on the wiki navigation bar to the published version:
> http://spreadsheets.google.com/pub?key=pHKVXFRF5xKtqkyXJX8DqOA
Shannon, I noted you mentioned not taking the information from
ChemSpider... what about *adding* these experimental properties to
ChemSpider?
BTW, I got a CRC Quick Reference Handbook in front of me, and checked
benzaldehyde... the book is more precise on the boiling point... would
it be appreciated if I would compare the spreadsheet with the book,
and report on differences?
Egon
soseback
Jan 23, 2008, 3:40:56 PM1/23/08
to UsefulChem
Yes I think that we could upload the experimental properties onto
ChemSpider, the only problem that might occur with doing this and
comparing properties though to CRC is that we are using information
from Aldrich for the compounds that we buy, which of course are not
100% pure, because for our experimentation we need the physical
densities of the compound we are using to accurately calculate the
amount to use in a reaction. So these numbers are probably slightly
off from what should be listed on ChemSpider and the CRC Handbook for
the pure compounds I believe?
On Jan 23, 7:45 am, "Egon Willighagen" <egon.willigha...@gmail.com>
wrote:
ChemSpider, the only problem that might occur with doing this and
comparing properties though to CRC is that we are using information
from Aldrich for the compounds that we buy, which of course are not
100% pure, because for our experimentation we need the physical
densities of the compound we are using to accurately calculate the
amount to use in a reaction. So these numbers are probably slightly
off from what should be listed on ChemSpider and the CRC Handbook for
the pure compounds I believe?
On Jan 23, 7:45 am, "Egon Willighagen" <egon.willigha...@gmail.com>
wrote:
> On Jan 23, 2008 12:43 PM, Jean-Claude Bradley
>
>
Tony at ChemSpider
Jan 23, 2008, 8:36:52 PM1/23/08
to UsefulChem
I think it would be good to put the experimental properties online. A
couple of comments...
The table heading is already oC so there's no need to have it again in
the column itself
SOme of the BPs are for "substances" such as Crotonaldehyde (cis/trans
1:20). Since the database is built on "structures" putting that BP on
there for a mixture would not be good.
Egon...would be good to know how the numbers compare with CRC.
I'd like to help with the deposition and use the SDF deposition system
to do this and test it.
Let's check the values then decide.
couple of comments...
The table heading is already oC so there's no need to have it again in
the column itself
SOme of the BPs are for "substances" such as Crotonaldehyde (cis/trans
1:20). Since the database is built on "structures" putting that BP on
there for a mixture would not be good.
Egon...would be good to know how the numbers compare with CRC.
I'd like to help with the deposition and use the SDF deposition system
to do this and test it.
Let's check the values then decide.
Jean-Claude Bradley
Jan 24, 2008, 5:26:33 AM1/24/08
to usefu...@googlegroups.com
From the practical aspect of why this table was created - to prepare our experiments more quickly, the only essential values are density and MW.
The MW is in ChemSpider already.
It would be nice to upload the experimental densities from Aldrich and have them listed next to the ones calculated by ChemSpider.
Tony - any chance of getting Aldrich to agree to that? (my guess is no)
Shannon - do you know why properties like boiling point are in that table since they are not relevant to the Ugi reaction?
The MW is in ChemSpider already.
It would be nice to upload the experimental densities from Aldrich and have them listed next to the ones calculated by ChemSpider.
Tony - any chance of getting Aldrich to agree to that? (my guess is no)
Shannon - do you know why properties like boiling point are in that table since they are not relevant to the Ugi reaction?
Tony at ChemSpider
Jan 24, 2008, 9:59:52 AM1/24/08
to UsefulChem
The densities are "data" and as such can't be copyrighted. I can't see
any reason Aldrich would or can object.
Also, I have sent emails to Aldrich previously about ChemSpider
without a response..
On Jan 24, 5:26 am, "Jean-Claude Bradley"
any reason Aldrich would or can object.
Also, I have sent emails to Aldrich previously about ChemSpider
without a response..
On Jan 24, 5:26 am, "Jean-Claude Bradley"
<jeanclaude.brad...@gmail.com> wrote:
> From the practical aspect of why this table was created - to prepare our
> experiments more quickly, the only essential values are density and MW.
> The MW is in ChemSpider already.
> It would be nice to upload the experimental densities from Aldrich and have
> them listed next to the ones calculated by ChemSpider.
> Tony - any chance of getting Aldrich to agree to that? (my guess is no)
>
> Shannon - do you know why properties like boiling point are in that table
> since they are not relevant to the Ugi reaction?
>
> From the practical aspect of why this table was created - to prepare our
> experiments more quickly, the only essential values are density and MW.
> The MW is in ChemSpider already.
> It would be nice to upload the experimental densities from Aldrich and have
> them listed next to the ones calculated by ChemSpider.
> Tony - any chance of getting Aldrich to agree to that? (my guess is no)
>
> Shannon - do you know why properties like boiling point are in that table
> since they are not relevant to the Ugi reaction?
>
> --
> Jean-Claude Bradley, Ph. D.
> E-Learning Coordinator for the College of Arts and Sciences
> Jean-Claude Bradley, Ph. D.
> E-Learning Coordinator for the College of Arts and Sciences
Jean-Claude Bradley
Jan 24, 2008, 10:26:28 AM1/24/08
to usefu...@googlegroups.com
That would be nice..
> Jean-Claude Bradley, Ph. D.> http://drexel-coas-elearning.blogspot.comhttp://drexel-coas-talks-mp3-podcast.blogspot.com/http://usefulchem.blogspot.com
> E-Learning Coordinator for the College of Arts and Sciences
> Associate Professor of Chemistry
> Drexel University
>
Associate Professor of Chemistry
Drexel University
soseback
Jan 25, 2008, 1:11:28 PM1/25/08
to UsefulChem
Honestly I'm not sure why they are there, I just followed the format
that the previously existing table that Khalid showed me had and they
were listed on there. The one reason that I find it useful is if
you're not sure whether the material is a solid/liquid this can answer
it for you, because Aldrich sometimes gives densities for both solids
and liquids.
that the previously existing table that Khalid showed me had and they
were listed on there. The one reason that I find it useful is if
you're not sure whether the material is a solid/liquid this can answer
it for you, because Aldrich sometimes gives densities for both solids
and liquids.
> From the practical aspect of why this table was created - to prepare our
> experiments more quickly, the only essential values are density and MW.
> The MW is in ChemSpider already.
> It would be nice to upload the experimental densities from Aldrich and have
> them listed next to the ones calculated by ChemSpider.
> Tony - any chance of getting Aldrich to agree to that? (my guess is no)
>
> Shannon - do you know why properties like boiling point are in that table
> since they are not relevant to the Ugi reaction?
>
> experiments more quickly, the only essential values are density and MW.
> The MW is in ChemSpider already.
> It would be nice to upload the experimental densities from Aldrich and have
> them listed next to the ones calculated by ChemSpider.
> Tony - any chance of getting Aldrich to agree to that? (my guess is no)
>
> Shannon - do you know why properties like boiling point are in that table
> since they are not relevant to the Ugi reaction?
>
> --
> Jean-Claude Bradley, Ph. D.
> E-Learning Coordinator for the College of Arts and Sciences
> Jean-Claude Bradley, Ph. D.
> E-Learning Coordinator for the College of Arts and Sciences
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