Lecture8: 123.702

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MacMillan's synthesis, highlighting the use of organocatalysis.

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callipeltoside C©oxmox@flickr gareth j rowlands

LECTURE EIGHT

©Islands in the Stream Expedition 2002. NOAA Office of Ocean Exploration

O

O O

Cl

MeOH OH

O O

MeO OH

H

OH

callipeltoside CAngew. Chem. Int. Ed., 2008, 47, 3568

©mararie@flickr

anti-tumoractivity

retrosynthesis

simplification

O

O O

Cl

MeOH OH

O O

MeO OH

H

OH

glycosylationremove sensitive

sugar

into fragments

O

O O

Cl

MeOH OH

OHYamaguchi

lactonisationform macrocycle by esterification

retrosynthesis

allows molecule to be split

in half

retrosynthesis

divide

O

OH

Cl

MeOH OH

OH

chelation controlled alkylation

CO2H

in half

retrosynthesis

divide

O

OH

Cl

MeOH OH

OH

chelation controlled alkylation

CO2H

HO O

MeO OH

H

OH

OH OH

OH

CO2H

O

OH

Cl

X

3 targets

O

O O

Cl

MeOH OH

O O

MeO OH

H

OH

©YaniG@flickr

synthesismaychange order

retrosynthesisbottom half

OH

Cl

XHorner-Wadsworth-

Emmons

OHO

ICl

PO

MeOMeO

O

I

organocatalysis

retrosynthesismiddle section

OH OH

OH

CO2Me

O

Semmelhack cyclisation

PGO

OH OH

13

5

73

57

difficultto see

see forwardreaction

©bitterlysweet@flickr

PGO

OH OH

retrosynthesismiddle section

PGO

OH OH

retrosynthesismiddle section

patternrecognition

R1

OH

R2

O

©lecates@flickr

aldolthink

PGO

OH OH

PGO

OH O

PGO

O O

alkylkationsubstrate

control

aldolorganocatalysis

retrosynthesismiddle section

HO O

MeO OH

H

OH

retrosynthesissugar section

HO O

MeO OH

H

OH

retrosynthesissugar section

aldol

aldolHO O

MeO OH

H

OH

retrosynthesissugar section

retrosynthesissugar section

HO O

MeO OH

H

OH

HO O

MeO OTIPS

HOTIPS

OHFGI

C–C

MeO

TESO

OOTIPS

TIPSOOTIPS

aldolchelation control

retrosynthesissugar section

OOTIPS

TIPSOOTIPS

C–C

OOTIPS

OOTIPS

aldolorganocatalysis

©Time Inc

the synthesis

the synthesis

©euthman@flickr

OH

1. AlMe3, ....Cp2ZrCl2 then I22. (COCl)2, ....DMSO, Et3N

O

I

synthesisbottom half

OH

Cl

I

Negishicarbometallation-

iodinationmechanism

complex!©Toby Maloy@flickr

mechanism

R H

ZrCl

Cl MeAlMe

Me

R H

AlMe Me

MeZrCl Cl

CpCp

δ+δ–

R H

Me AlMe2

I2R H

Me I

possible

organocatalysis

O

O O

Cl

MeOH OH

O O

MeO OH

H

OH

synthesisbottom half

O

I NH

CO2HPhNO

99%ee O

IO

NHPh

OH

Cl

I

see lecture six

O

IO

NHPh

1. NaBH42. Zn, AcOH3. Bu2Sn(OMe)2, PMBCl4. TBSCl, imidazole

62% OPMB

IOTBS

synthesisbottom half

I

OSnO

BuBu

PG

OH

Cl

I

OPMBO

O

NH

CO2H OHPMBO O

99%ee12:1 syn:anti

synthesisof middle section O

H OPG

OH

CO2Me

PGO

see lecture six

OHPMBO OBr

Zn

98%6:1 syn

OHPMBO OH

OH OPG

OH

CO2Me

PGO

synthesisof middle section

R

H

Me O

HZn

RH

Me OH

H

Felkin-Ahnsubstrate

control

OHPMBO OH

synthesisof middle section

OHPMBO OH

OH OMe

OH

PMBO

[PdCl2(MeCN)2]CO, MeOH

OMe

OO O

75%20:1dr

OH OMe

OH

PMBO

OMe

O

©New Line Cinema

nightmare mechansim

Pd2+

HO Pd2+

OPd+

O Pd+

O

O OMe

O

Pd0

OO

OHHO

O OMe

O

Pd2+O OMe

O

Pd+O OMe

O

OMe

HO

C O

MeOH

Pd2+

MeOH

OH OMe

OTBS

CO2Me

O

synthesisof middle section

OH OMe

OH

PMBO

OMe

O

1. TBSCl2. DDQ3. SO3•pyr, ....DMSO, Et3N

80% OH OMe

OTBS

CO2Me

O

OMeNC

NC O

Cl

ClO

callipeltoside Csynthesis

O

O O

ClMeO

H OH

O O

MeOOH

H

OH

OH OMe

OTBS

CO2Me

O

OPMB

IOTBS

OPMB

BrMgOTBS

OH OMe

OTBS

CO2Me

HO OTBSOPMB

MgBr•Et2O98%16:1dr

controlchelation

O

O O

ClMeO

H OH

O O

MeOOH

H

OH

OH OMe

OTBS

CO2Me

O

OPMB

IOTBS

OPMB

BrMgOTBS

OH OMe

OTBS

CO2Me

HO OTBSOPMB

MgBr•Et2O98%16:1dr

OH OMe

OTBS

CO2Me

HO OTBSOPMB

1. MeOTf, base2. DDQ3. SO3•pyr, ....DMSO, Et3N

84%O

H OMe

OTBS

CO2Me

MeO OTBSO

callipeltoside Csynthesis

O

O O

Cl

MeOH OH

O O

MeO OH

H

OH

OH OMe

OTBS

CO2Me

MeO OTBSO

ClPO

MeOMeO

1. HWE2. TBAF3. Ba(OH)2

84%

O

OH

Cl

MeOH OMe

OTBS

CO2H

O

O O

Cl

MeOH OH

O O

MeO OH

H

OH

callipeltoside Csynthesis

Org. Lett., 2001, 3, 503

O

OH

Cl

MeOH OMe

OTBS

CO2H 2,4,6-Cl3C6H2COCl, iPr2NEt, DMAP

83%

O

O

Cl

MeOH

OTBS

O

aglyconesynthesis

aglyconesynthesis

O

O

Cl

MeOH

OTBS

O

1. PPh3•HBr, H2O2. TFA

81%

O

O

Cl

MeOH

OH

OOH

HO O

MeO OH

H

OH

portionsugar

disaster

O

O O

Cl

MeOH OH

O O

MeO OH

H

OH

©dawn m. armfield@flickr

HO O

MeO OHOH

portionsugar

real

O

OTIPSO

OTIPS

NH

CO2H

75%99%ee

O

TIPSO

OH

OTIPS

see lecture six

of sugarsynthesisHO O

MeO OHOH

HO O

MeO OHOH

of sugarsynthesis

O

TIPSO

OH

OTIPS

OTESOMe

MgBr2•OEt2

47%>20:1dr HO O

MeO OTIPS

TIPSO

OH

controlsubstrate

HO O

MeO OHOH

of sugarsynthesis

O

TIPSO

OH

OTIPS

OTESOMe

MgBr2•OEt2

47%>20:1dr HO O

MeO OTIPS

TIPSO

OH

controlsubstrate

H

RTIPSOR

H

TIPSO O

HMeO

TESO

OH

HMeO

O

H≡

O

OMe

OH

OTIPS

OH

OTIPSHO O

MeO OTIPSOH

OTIPS

HO O

MeO OHOH

HO O

MeO OTIPS

TIPSO

OH1. AcCl, BnOH2. PhOC(S)Cl3. Bu3SnH, AIBN4. DMP

47%BnO O

MeO OTIPSO

of sugarsynthesis

OI

O

OAcAcO OAc

BnO O

MeO OTIPSO

1. MeMgBr, ....MgBr2•OEt22. H2, Pd/C then ....Cl3CCN

86%O O

MeO OTIPSOH

HN

CCl3

of sugarsynthesis

callipeltoside Csynthesisendgame

O

O

Cl

MeOH

OH

OOH

O O

MeO OTIPSOH

HN

CCl3

1. TMSOTf2. TASF

63% O

O

Cl

MeOH

OOH

O O

MeO OHOH

sequence

12%PMBO H

O

18-steps longest linear

correctedstereochemistry