E2 = Strong base + heat, anti-periplanar, Zaitsev product
E2 Elimination
E2: strong bulky base, heat, one concerted step. Requires anti-periplanar geometry (H and LG 180° apart). Follows Zaitsev's rule — most substituted alkene is major product.
⚗️ Reaction Mechanisms
'When in doubt: primary=SN2, tertiary=SN1 or E1, strong base=E2'
Arrow pushing: electrons flow from nucleophile to electrophile
Curved Arrow Notation
Curved arrows show electron movement — always from electron-rich to electron-poor. Tail at electron source (lone pair or bond). Head at destination. Never draw arrows backwards.
⚗️ Reaction Mechanisms
Radical stability: 3° > 2° > 1° > methyl — same as carbocations but less dramatic
Radical Stability
Free radicals (one unpaired electron) follow the same stability order as carbocations: tertiary > secondary > primary > methyl. Alkyl groups stabilize radicals by hyperconjugation (C-H bonds donate into singly occupied orbital). Allylic and benzylic radicals are especially stable (resonance delocalization). Vinyl and aryl radicals are unstable. Stability determines selectivity in radical reactions (Br• is selective — attacks most stable radical).
⚗️ Reaction Mechanisms
Carbocation rearrangements: 1,2-hydride or 1,2-methyl shift to more stable carbocation
Carbocation Rearrangements
Carbocations rearrange to more stable structures. Hydride shift: H (with its bonding electrons) migrates from adjacent carbon → new carbocation on original carbon. Methyl shift: CH₃ migrates similarly. Both are 1,2-shifts (to adjacent carbon). Rearrangements occur when: (1) a less stable carbocation can become more stable, (2) a ring can expand or contract to more stable system. Predict rearrangements on every SN1 or electrophilic addition question — always ask: could this carbocation rearrange?
1,2-Hydride shift
H migrates with electrons to adjacent C+
1,2-Methyl shift
CH₃ migrates with electrons to adjacent C+
When it occurs
Less stable → more stable carbocation
Tip
Always check if rearrangement can occur in SN1/EAS
⚗️ Reaction Mechanisms
Pericyclic reactions: concerted, no intermediates — governed by orbital symmetry
Pericyclic Reactions Overview
Pericyclic reactions occur through a cyclic transition state with no intermediates — electrons reorganize simultaneously. Types: Cycloadditions (Diels-Alder [4+2], [2+2]). Electrocyclic reactions (ring opening/closing). Sigmatropic rearrangements (Cope, Claisen). Governed by Woodward-Hoffmann rules: thermal [4+2] allowed; thermal [2+2] forbidden (photochemical). The key: count electrons in the transition state and determine if orbital symmetry is conserved.
Acid-base reactions go to the side with the WEAKER acid (lower pKa = stronger acid). Rule: proton transfers from stronger acid to stronger base → gives weaker acid and weaker base. To determine if a reaction proceeds: compare pKa of reactant acid vs product acid. If product acid has higher pKa → reaction is favorable (Keq > 1). Example: H₂O (pKa 15.7) + NaH → NaOH (pKa 15.7 on product side). Actually pKa of H₂ ~35, so NaH deprotonates water completely.
⚗️ Reaction Mechanisms
Orbital theory: HOMO attacks LUMO — frontier molecular orbital (FMO) approach
Frontier Molecular Orbital (FMO) Theory
FMO theory explains reactivity using the HOMO (highest occupied MO) of nucleophile and LUMO (lowest unoccupied MO) of electrophile. Nucleophile HOMO donates into electrophile LUMO. The orbital energy gap determines reactivity. In pericyclic reactions: thermal reactions require HOMO of one component to overlap with LUMO of the other in a thermally-allowed sense. This explains why Diels-Alder is thermally allowed ([4π+2π]) and [2+2] is not.
⚗️ Reaction Mechanisms
Anti addition to alkenes: bromine adds anti — 3-membered bromonium ion intermediate
Halogenation of Alkenes — Anti Addition
Br₂ or Cl₂ adds across alkene with ANTI stereochemistry (bromine atoms end up on opposite faces). Mechanism: Br₂ approaches pi bond → forms bromonium ion (3-membered ring, Br⁺ bridges two carbons) → Br⁻ attacks the back face (SN2) at more substituted carbon → anti-addition product. Result: trans-dibromide from cyclic alkenes. Proof of bromonium ion: meso product from cis-alkene, rac mixture from trans-alkene.
Polar protic solvents (water, alcohols, acetic acid) stabilize both cations and anions through hydrogen bonding and solvation. Favor SN1 (stabilize carbocation), disfavor SN2 (solvate nucleophile, reducing its reactivity). Polar aprotic solvents (DMSO, DMF, acetone, acetonitrile) do NOT hydrogen bond — anions are 'naked' and highly reactive. Strongly favor SN2. Non-polar solvents (hexane, benzene) are used for radical reactions and reactions needing no ionic intermediates.
Polar protic
H₂O, ROH, RCOOH — stabilize ions, favor SN1
Polar aprotic
DMSO, DMF, acetone — naked anions, favor SN2
Non-polar
Hexane, benzene — radical reactions
Rule
Solvate nucleophile → slower SN2; naked Nu → faster SN2
⚗️ Reaction Mechanisms
Neighboring group participation: internal nucleophile assists ionization → retention or neighboring effect
Neighboring Group Participation
An internal nucleophile (group within the molecule) can assist ionization of a leaving group — forms a cyclic intermediate. Results in: (1) anchimeric assistance (rate acceleration), (2) unexpected stereochemistry (retention instead of inversion). Example: a threo-beta-bromo sulfide undergoes solvolysis with retention (sulfur internally attacks → sulfonium ion → opened by external nucleophile from both faces). Recognize: retention of configuration or rearrangement often signals neighboring group participation.
🎓 Common Exam Questions
Q: What are the key features of SN2 reactions?
A: SN2: strong nucleophile, primary (or methyl) substrate, polar aprotic solvent (acetone, DMSO, DMF). One concerted step — backside attack by nucleophile with simultaneous departure of leaving group → Walden inversion (configuration inverts). Rate = k[substrate][nucleophile] (bimolecular). Steric hindrance prevents SN2 at secondary and tertiary carbons.
Q: What are the key features of SN1 reactions?
A: SN1: weak nucleophile, tertiary (or secondary) substrate, polar protic solvent (water, alcohol). Two steps: (1) ionization → carbocation intermediate (rate-determining step), (2) nucleophile attacks. Rate = k[substrate] only (unimolecular). Racemization occurs (nucleophile can attack from either face). Carbocation rearrangements possible.
Q: What are the conditions for E2 elimination?
A: E2: strong, bulky base (t-BuOK, KOH), heat, anti-periplanar geometry required (H and leaving group 180° apart). One concerted step. Follows Zaitsev's rule: most substituted (most stable) alkene is the major product. Exception: bulky base + secondary substrate can give Hofmann (least substituted) product.
Q: How do you decide between SN1, SN2, E1, and E2?
A: Primary substrate + strong nucleophile → SN2. Primary + strong base + heat → E2. Secondary + strong nucleophile/base → SN2 or E2 (depends on temperature and sterics). Tertiary + strong base + heat → E2. Tertiary + weak nucleophile, polar protic → SN1/E1. Polar aprotic solvent → favors SN2. Polar protic → favors SN1/E1. Temperature: high temperature favors elimination (E) over substitution (S).
Q: How do curved arrows work in mechanism drawing?
A: Curved arrows represent electron movement — always from electron-rich (nucleophile, lone pair, or bond) to electron-poor (electrophile). The TAIL is at the electron source. The HEAD points to where electrons go. Never draw arrows backward (from electrophile to nucleophile). Fishhook arrows (half-headed) represent single electron movement in radical mechanisms.
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