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Author Topic:   Help name this organic compound!!
JustinC
Member (Idle past 4875 days)
Posts: 624
From: Pittsburgh, PA, USA
Joined: 07-21-2003


Message 1 of 7 (316101)
05-29-2006 9:31 PM


Using H NMR, C NMR, and IR, I deduced a structure for an unknown compund.
Now I want to see if this compound's literature boiling point matches up with the experimental. The problem? I don't know how to name it (sold my OChem book a while ago and the internet is no help).
It has the formula: C8H17NO and the structure is my avatar.
It's 4-ethyl-2-hexanone if there wasn't that amine group. Now how do I factor that in?

Replies to this message:
 Message 2 by macaroniandcheese, posted 05-29-2006 11:41 PM JustinC has not replied
 Message 3 by sidelined, posted 05-30-2006 3:47 AM JustinC has not replied
 Message 5 by JavaMan, posted 05-30-2006 8:12 AM JustinC has not replied

  
macaroniandcheese 
Suspended Member (Idle past 3958 days)
Posts: 4258
Joined: 05-24-2004


Message 2 of 7 (316136)
05-29-2006 11:41 PM
Reply to: Message 1 by JustinC
05-29-2006 9:31 PM


i'll ask my mom tomorrow. if i remember.

This message is a reply to:
 Message 1 by JustinC, posted 05-29-2006 9:31 PM JustinC has not replied

  
sidelined
Member (Idle past 5939 days)
Posts: 3435
From: Edmonton Alberta Canada
Joined: 08-30-2003


Message 3 of 7 (316176)
05-30-2006 3:47 AM
Reply to: Message 1 by JustinC
05-29-2006 9:31 PM


JustinC
It has the formula: C8H17NO and the structure is my avatar
The name I found for the compound is N-2-Methylbutylpropanamide from this website 2me-butylpropanamide

This message is a reply to:
 Message 1 by JustinC, posted 05-29-2006 9:31 PM JustinC has not replied

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JavaMan
Member (Idle past 2350 days)
Posts: 475
From: York, England
Joined: 08-05-2005


Message 4 of 7 (316178)
05-30-2006 4:05 AM
Reply to: Message 3 by sidelined
05-30-2006 3:47 AM


Wrong compound
The name I found for the compound is N-2-Methylbutylpropanamide from this website 2me-butylpropanamide
That looks like quite a different compound, sidelined. Your compound is an amide; justinc's has a dangling amine group at position 4.
I'd call it 4-amino-4-ethylhexan-2-one, but it's about 10 years since I had to name anything, so take my advice with a pinch of salt!

The true mystery of the world is the visible, not the invisible

This message is a reply to:
 Message 3 by sidelined, posted 05-30-2006 3:47 AM sidelined has replied

Replies to this message:
 Message 6 by sidelined, posted 05-31-2006 1:42 AM JavaMan has not replied

  
JavaMan
Member (Idle past 2350 days)
Posts: 475
From: York, England
Joined: 08-05-2005


Message 5 of 7 (316201)
05-30-2006 8:12 AM
Reply to: Message 1 by JustinC
05-29-2006 9:31 PM


Chemical databases searchable by structure
Using H NMR, C NMR, and IR, I deduced a structure for an unknown compund.
Now I want to see if this compound's literature boiling point matches up with the experimental. The problem? I don't know how to name it (sold my OChem book a while ago and the internet is no help).
It has the formula: C8H17NO and the structure is my avatar.
It's 4-ethyl-2-hexanone if there wasn't that amine group. Now how do I factor that in?
As I've indicated in response to sidelined, I'd call it 4-amino-4-ethylhexan-2-one. But you should be able to look up the compound by structure in a chemical database. If you've got access to NMR, I would have thought you'd have access to such a database - if you're unsure, ask your local chemistry department.
These databases allow you to draw the chemical you're interested in and do the search based on the structure rather than on a name.
Edited by JavaMan, : No reason given.

The true mystery of the world is the visible, not the invisible

This message is a reply to:
 Message 1 by JustinC, posted 05-29-2006 9:31 PM JustinC has not replied

  
sidelined
Member (Idle past 5939 days)
Posts: 3435
From: Edmonton Alberta Canada
Joined: 08-30-2003


Message 6 of 7 (316472)
05-31-2006 1:42 AM
Reply to: Message 4 by JavaMan
05-30-2006 4:05 AM


Re: Wrong compound
You are correct Java and I really had no business attempting to answer that post. Chemistry is not a strong suit for me and I was up wway too late to think coherently. Thanks for saving me from myself eh?

This message is a reply to:
 Message 4 by JavaMan, posted 05-30-2006 4:05 AM JavaMan has not replied

  
JustinC
Member (Idle past 4875 days)
Posts: 624
From: Pittsburgh, PA, USA
Joined: 07-21-2003


Message 7 of 7 (316606)
05-31-2006 3:08 PM


Thanks for the help. It turns out that the integration numbers for my H NMR were wrong, so I thought I had an odd number of hydrogens, and hence a Nitrogen somewhere in the molecule.
The molecule turned out to be nothing but 2-heptanone.

  
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