BioNMR
NMR aggregator & online community since 2003
BioNMR    
Learn or help to learn NMR - get free NMR books!
 

Ask NMR questions! Earn NMR points Redeem NMR points Vote for NMR papers Twitter Ask to aggregate a site  Our Linkedin group
Go Back   BioNMR > Educational resources > NMR Questions and Answers
How can NMR be used to differentiate between the 2 nitration products? How can NMR be used to differentiate between the 2 nitration products?
Advanced Search
Home Forums Wiki NMR feeds Downloads Register Today's Posts



Jobs Groups Conferences Literature Pulse sequences Software forums Programs Sample preps Web resources BioNMR issues


Webservers
NMR processing:
MDD
NMR assignment:
Backbone:
Autoassign
MARS
UNIO Match
PINE
Side-chains:
UNIO ATNOS-Ascan
NOEs:
UNIO ATNOS-Candid
UNIO Candid
ASDP
Structure from NMR restraints:
Ab initio:
GeNMR
Cyana
XPLOR-NIH
ASDP
UNIO ATNOS-Candid
UNIO Candid
Fragment-based:
BMRB CS-Rosetta
Rosetta-NMR (Robetta)
Template-based:
GeNMR
I-TASSER
Refinement:
Amber
Structure from chemical shifts:
Fragment-based:
WeNMR CS-Rosetta
BMRB CS-Rosetta
Homology-based:
CS23D
Simshift
Torsion angles from chemical shifts:
Preditor
TALOS
Promega- Proline
Secondary structure from chemical shifts:
CSI (via RCI server)
TALOS
MICS caps, β-turns
d2D
PECAN
Flexibility from chemical shifts:
RCI
Interactions from chemical shifts:
HADDOCK
Chemical shifts re-referencing:
Shiftcor
UNIO Shiftinspector
LACS
CheckShift
RefDB
NMR model quality:
NOEs, other restraints:
PROSESS
PSVS
RPF scores
iCing
Chemical shifts:
PROSESS
CheShift2
Vasco
iCing
RDCs:
DC
Anisofit
Pseudocontact shifts:
Anisofit
Protein geomtery:
Resolution-by-Proxy
PROSESS
What-If
iCing
PSVS
MolProbity
SAVES2 or SAVES4
Vadar
Prosa
ProQ
MetaMQAPII
PSQS
Eval123D
STAN
Ramachandran Plot
Rampage
ERRAT
Verify_3D
Harmony
Quality Control Check
NMR spectrum prediction:
FANDAS
MestReS
V-NMR
Flexibility from structure:
Backbone S2
Methyl S2
B-factor
Molecular dynamics:
Gromacs
Amber
Antechamber
Chemical shifts prediction:
From structure:
Shiftx2
Sparta+
Camshift
CH3shift- Methyl
ArShift- Aromatic
ShiftS
Proshift
PPM
CheShift-2- Cα
From sequence:
Shifty
Camcoil
Poulsen_rc_CS
Disordered proteins:
MAXOCC
Format conversion & validation:
CCPN
From NMR-STAR 3.1
Validate NMR-STAR 3.1
NMR sample preparation:
Protein disorder:
DisMeta
Protein solubility:
camLILA
ccSOL
Camfold
camGroEL
Zyggregator
Isotope labeling:
UPLABEL
Solid-state NMR:
sedNMR

Reply
View First Unread View First Unread  
Thread Tools Search this Thread Rate Thread Display Modes
  #1  
Unread 06-10-2005, 10:47 PM
Junior Member
  
Join Date: Jun 2005
Posts: 1
Points: 12, Level: 1
Points: 12, Level: 1 Points: 12, Level: 1 Points: 12, Level: 1
Level up: 23%, 38 Points needed
Level up: 23% Level up: 23% Level up: 23%
Activity: 0%
Activity: 0% Activity: 0% Activity: 0%
NMR Credits: 0
NMR Points: 12
Downloads: 0
Uploads: 0
Default Answered: How can NMR be used to differentiate between the 2 nitration products?
How can NMR be used to tell the difference between the major and minor product of nitration of 4-methylacetanilide?4-methylacetanilide ------HNO3----> major + minor pdtsPlease explain how you know where the chemical shifts are and what are the names of the final pdts? Thank you very much!
Reply With Quote

Did you find this post helpful? Yes | No
Best Answer - Posted by bo7so
The acetamide is a better ortho/para director than the methyl group, so 2-nitro-4-methylacetanilide is the major product of the reaction and 3-nitro-4-methylacetanilide is the minor differentiation by NMR :for the 3-nitro-4-methylacetanilide on of the H atoms attached to the benzene ring will be shifted to higher [delta] because of the double inductive effect of the N atoms of both nitro and acetanilide groups which H lies in-between as the inductive effect of both of them extended to beta carbon (which our hydrogen is attached to )

Content provided by Yahoo Answers.

  #2  
Unread 06-10-2005, 10:47 PM
Junior Member
  
Join Date: Jun 2005
Posts: 1
Points: 2, Level: 1
Points: 2, Level: 1 Points: 2, Level: 1 Points: 2, Level: 1
Level up: 3%, 48 Points needed
Level up: 3% Level up: 3% Level up: 3%
Activity: 0%
Activity: 0% Activity: 0% Activity: 0%
NMR Credits: 100
NMR Points: 2
Downloads: 0
Uploads: 0
Provided Answers: 1
Default How can NMR be used to differentiate between the 2 nitration products?
The acetamide is a better ortho/para director than the methyl group, so 2-nitro-4-methylacetanilide is the major product of the reaction and 3-nitro-4-methylacetanilide is the minor differentiation by NMR :for the 3-nitro-4-methylacetanilide on of the H atoms attached to the benzene ring will be shifted to higher [delta] because of the double inductive effect of the N atoms of both nitro and acetanilide groups which H lies in-between as the inductive effect of both of them extended to beta carbon (which our hydrogen is attached to )

Content provided by Yahoo Answers.
Reply With Quote

1 out of 1 members found this post helpful. Did you find this post helpful? Yes | No
Reply
Similar Threads
Thread Thread Starter Forum Replies Last Post
Metabolic relationship between polyhydroxyalkanoic acid and rhamnolipid synthesis in Pseudomonas aeruginosa: comparative 像C NMR analysis of the products in wild-type and mutants.
Metabolic relationship between polyhydroxyalkanoic acid and rhamnolipid synthesis in Pseudomonas aeruginosa: comparative 像C NMR analysis of the products in wild-type and mutants. Metabolic relationship between polyhydroxyalkanoic acid and rhamnolipid synthesis in Pseudomonas aeruginosa: comparative 像C NMR analysis of the products in wild-type and mutants. J Biotechnol. 2011 Jan 10;151(1):30-42 Authors: Choi MH, Xu J, Gutierrez M, Yoo T, Cho YH, Yoon SC Polyhydroxyalkanoic acids (PHAs) and rhamnolipids considered as biotechnologically important... 		nmrlearner Journal club 0 04-28-2011 03:12 PM
[NMR paper] Determination of water self-diffusion coefficient in complex food products by low fie
Determination of water self-diffusion coefficient in complex food products by low field 1H PFG-NMR: comparison between the standard spin-echo sequence and the T1-weighted spin-echo sequence. Related Articles Determination of water self-diffusion coefficient in complex food products by low field 1H PFG-NMR: comparison between the standard spin-echo sequence and the T1-weighted spin-echo sequence. J Magn Reson. 2003 Dec;165(2):265-75 Authors: M彋ais A, Mariette F In 1990, Van Den Enden et al. proposed a method for the determination of water... 		nmrlearner Journal club 0 11-24-2010 09:16 PM
[NMR paper] Identification of reaction products and intermediates of aromatic-amine dehydrogenase
Identification of reaction products and intermediates of aromatic-amine dehydrogenase by 15N and 13C NMR. Related Articles Identification of reaction products and intermediates of aromatic-amine dehydrogenase by 15N and 13C NMR. Biochem J. 1998 Mar 15;330 ( Pt 3):1159-63 Authors: Bishop GR, Zhu Z, Whitehead TL, Hicks RP, Davidson VL 13C- and 15N-NMR studies of the reaction of aromatic amine dehydrogenase (AADH) with methylamine demonstrated that the products of the reductive half-reaction are an equivalent of formaldehyde hydrate and a reduced... 		nmrlearner Journal club 0 11-17-2010 11:06 PM
Biochemical disorders induced by cytotoxic marine natural products in breast cancer c
Biochemical disorders induced by cytotoxic marine natural products in breast cancer cells as revealed by proton NMR spectroscopy-based metabolomics. Related Articles Biochemical disorders induced by cytotoxic marine natural products in breast cancer cells as revealed by proton NMR spectroscopy-based metabolomics. Biochem Pharmacol. 2010 Oct 15;80(8):1170-9 Authors: Bayet-Robert M, Lim S, Barthomeuf C, Morvan D Marine plants and animals are sources of a huge number of pharmacologically active compounds, some of which exhibit antineoplastic... 		nmrlearner Journal club 0 10-12-2010 02:52 PM
[NMR paper] Solid-state 13C-NMR spectroscopy of adduction products of 2,5-hexanedione with ribonu
Solid-state 13C-NMR spectroscopy of adduction products of 2,5-hexanedione with ribonuclease, albumin, and rat neurofilament protein. http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--linkinghub.elsevier.com-ihub-images-PubMedLink.gif Related Articles Solid-state 13C-NMR spectroscopy of adduction products of 2,5-hexanedione with ribonuclease, albumin, and rat neurofilament protein. Chem Biol Interact. 1996 Oct 21;102(2):101-16 Authors: Yan B, DeCaprio AP, Zhu M, Bank S The Paal-Knorr condensation reaction between the gamma-diketone... 		nmrlearner Journal club 0 08-22-2010 02:20 PM
[NMR software blog] Natural Products
Natural Products http://1.bp.blogspot.com/_ROkYShLRKqA/SteNWieFqCI/AAAAAAAAARk/qKuAY5zIiGo/s400/antiphase.png A reader asked me: "What is the shape of a 2-D peak?" and my answer was: "Exponential! (in time domain)". This is all you need to know, I think. The picture should help, as always. If you are reading this blog, it means that you have something like a computer. Even the iPhone is a computer (you can run programs on it) and can display my blog. I suspect, however, that you have a better computer, like I do. You can use your computer to run simulations and more: you can ask it to... 		nmrlearner News from NMR blogs 0 08-21-2010 06:29 PM


« Previous Thread | Next Thread »

Posting Rules
You may not post new threads
You may not post replies
You may not post attachments
You may not edit your posts
BB code is On
Smilies are On
[IMG] code is On
HTML code is On
Trackbacks are Off
Pingbacks are Off
Refbacks are Off

BioNMR RSS Feeds - FAQ - Members - Terms of Service - Privacy Statement - Site Map - Top


BioNMR advertisements to pay for website hosting and domain registration. Nobody does it for us.



Powered by vBulletin® Version 3.7.3
Copyright ©2000 - 2024, Jelsoft Enterprises Ltd.
Forum Answers by - Gio~Logist - Vbulletin Solutions & Services
Copyright, BioNMR.com, 2003-2013
Search Engine Friendly URLs by vBSEO 3.6.0

All times are GMT. The time now is 01:15 PM.


Map