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Magelia
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New Compound
I believe I have synthesized a new compound. How should I go about the next step?
Is this a big accomplishment, synthesizing a new compound?
My compound is attached if you do not believe it is truly a new compound!
[Edited on 31-10-2012 by Magelia]
[Edited on 31-10-2012 by Magelia]
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Magelia
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Compound attached.
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Lambda-Eyde
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First, name the compound (using IUPAC nomenclature, of course), then do a SciFinder search or similar to see if it has been reported earlier. Also,
provide an NMR spectrum so you can be sure that it's the compound you're speaking of.
This just in: 95,5 % of the world population lives outside the USA
Please drop by our IRC channel: #sciencemadness @ irc.efnet.org
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Magelia
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Yes, it is the compound. I had the NMR expert look into it, and it is indeed the dimer.
I did do a search on scifinder and found nothing.
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Dr.Bob
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Now you buy donuts for the research team. That is what we always did when we achieved a major goal for the team, like a publication or novel
molecule.
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kristofvagyok
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Ok, if it's new then congrats.
What is it good for? Is there any similar like substances, or does it have any idea that what could it be used in?
If the answer for the above questions is yes, then write an article, make 4-5 similar comounds and send it to a chemical journal. If they also think
that this is good for something, then they may publish it.
P.S.: today I have made 2 new compounds 
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Ephesian
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turn it into a salt, get a crystal structure, bam! publication
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Magelia
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Ok thanks!
Could anyone double check in their database that my compound is actually a "new" compound if you guys don't mind? 
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ziqquratu
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A quick structure search in SciFinder turned up no hits, indicating it's probably unknown.
If you don't mind my asking, how did you make this? From your writing, it sounds like you dimerised the parent N-benzyl thioamide. I was working on
this type of chemistry a while back, it was pretty annoying (and even worse for a co-worker, who spent really significant amounts of time on it!). We
had some really ugly thioamides, though, which didn't help (and, of course, half the irritation comes from having to make the thioamides themselves!).
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trip96
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Hey guys! I have some super basic questions. I hope these aren't too simple.
1. How are you making these new compounds?
2. How do you confirm that they are the compounds?
3. Why are you making them?
Sorry if this is annoying to answer or anything like that. I'm very interested in this topic though and would like a short walk through to get up to
speed.
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woelen
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What is so special about making new compounds? I am quite sure that I also can make new compounds which never have been made before. It is like
playing with big people's LEGO which allows you to make new objects from small bricks which have never been made before.
Making a new compound in itself is not that spectacular, you have to explain what is special about your compound. Does the synthetic procedure for
making it add something new to the science of chemistry (e.g. some not yet known kind of reaction or a very smart and uncommon combination of already
known reactions)? Has the newly made compound special properties which really set it apart from other compounds?
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Magelia
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Yah, it's weird... anyone know the possible mechanism to which my above compound dimerized?
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UnintentionalChaos
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I've made compounds new to chemistry during undergraduate research...just juggle around a few functional groups and you have scores of them. That
doesn't make them extremely exciting, though it is cool.
Department of Redundancy Department - Now with paperwork!
'In organic synthesis, we call decomposition products "crap", however this is not a IUPAC approved nomenclature.' -Nicodem
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AndersHoveland
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One name of your compound would be
N,N'-dibenzyl-dodecyl-6,7-thioamide
[Edited on 6-11-2012 by AndersHoveland]
I'm not saying let's go kill all the stupid people...I'm just saying lets remove all the warning labels and let the problem sort itself out.
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Magelia
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Thanks for the reply! Still trying to figure out what is going on!
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unionised
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That would be a name for it, but it wouldn't be a correct name for it.
The molecule has two thioamide groups, that name has only one
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gutter_ca
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Quote: Originally posted by unionised  |
That would be a name for it, but it wouldn't be a correct name for it.
The molecule has two thioamide groups, that name has only one |
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UnintentionalChaos
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(N,N'-dibenzyl)-Dodecane,6-7-bisthiocarboxamide perhaps. Probably not IUPAC, but intelligible.
Department of Redundancy Department - Now with paperwork!
'In organic synthesis, we call decomposition products "crap", however this is not a IUPAC approved nomenclature.' -Nicodem
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Magelia
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Anyone know how I can draw the mechanism of its formation from its mono part? Mechanism of the formation of the dimer?
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ziqquratu
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We always thought it went via enolisation, followed by oxidative coupling to the disulfide and then a (3,3)-sigmatropic rearrangement (like a Cope or
Claisen rearrangement) to give the dimer.
There's a bit of literature out there on this stuff, which supports that mechanism.
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Magelia
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Could you perhaps let me know if my mechanism drawn below is correct?
I tried looking for a mechanism in literature but wasn't able to find one.
[Edited on 7-11-2012 by Magelia]
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kristofvagyok
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Never ever seen such reaction.
The S-S bond could form if vou oxidize it a bit, but I'm a bit unsure that wit will work with thioamides... Also the isomerisation and the C-C bond
forming is also a really strange thing there...
Do you have any else data except the NMR? An MS? Also could you post the reaction conditions? This sketch reaction mechanism looks really weird with
this isomerisation and condensation....
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ziqquratu
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Yup, that's pretty much it. As kristofvagyok says, it should need an oxidant to form the disulfide, but we saw cases where there was no obvious
oxidant (and that includes dissolved oxygen, which we removed from the solvents), so it's possible that something else is going on, too.
There is, as I said, some good literature on this - mostly intramolecular reactions, but I believe some examples of intermolecular (and we certainly
got some intermolecular ones to work, just never reliably enough to be useful). I think the relevant stuff goes back to the 70s, at least. I'm afraid
it wasn't a core component of my work, however, so I'm not as up on those details as my colleague.
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Magelia
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| Quote: Originally posted by kristofvagyok |
Never ever seen such reaction.
Do you have any else data except the NMR? An MS? Also could you post the reaction conditions? This sketch reaction mechanism looks really weird with
this isomerisation and condensation.... |
No, I do not have a MS. Reaction conditions: Heptyne + Benzyl amine + sulfur.
Ever hear of such a rxn?
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kristofvagyok
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I have heard about that reaction, that is not the tricky part. The question would be that how do you know that the thioamide forms a dimer with a
reaction mechanism that you have described above? That is the part what is a bit wierd to me.
But I will check it on Monday at the library.
I have a blog where I post my pictures from my work: http://labphoto.tumblr.com/
-Pictures from chemistry, check it out(:
"You can’t become a chemist and expect to live forever." |
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