Product Name

  • Name

    (S)-(+)-1-Iodo-2-methylbutane

  • EINECS
  • CAS No. 29394-58-9
  • Article Data21
  • CAS DataBase
  • Density 1.52 g/cm3
  • Solubility
  • Melting Point -85.6°C (estimate)
  • Formula C5H11I
  • Boiling Point 146.6 °C at 760 mmHg
  • Molecular Weight 198.047
  • Flash Point 42.8 °C
  • Transport Information UN 1993 3
  • Appearance clear colorless to yellow liquid
  • Safety 16-26-36
  • Risk Codes 10-36/37/38
  • Molecular Structure Molecular Structure of 29394-58-9 ((S)-(+)-1-Iodo-2-methylbutane)
  • Hazard Symbols IrritantXi
  • Synonyms Butane,1-iodo-2-methyl-, (S)- (8CI);(S)-(+)-1-Iodo-2-methylbutane;(S)-1-Iodo-2-methylbutane;(S)-2-Methylbutyl iodide;(2S)-1-iodo-2-methylbutane;(S)-(+)-1-Iodo-2-methylbutane;butane, 1-iodo-2-methyl-, (2S)-;Butane, 1-iodo-2-methyl-, (S)-;
  • PSA 0.00000
  • LogP 2.46750

Synthetic route

(S)-2-methylbutyl bromide
534-00-9

(S)-2-methylbutyl bromide

(S)-1-iodo-2-methyl-butane
29394-58-9

(S)-1-iodo-2-methyl-butane

Conditions
ConditionsYield
With sodium iodide In acetone 1) 1 h, 25 deg C, 2) 3 h, reflux;91%
(S)-2-methylbutyl tosylate
38261-81-3

(S)-2-methylbutyl tosylate

(S)-1-iodo-2-methyl-butane
29394-58-9

(S)-1-iodo-2-methyl-butane

Conditions
ConditionsYield
With sodium iodide In N,N-dimethyl-formamide at 60℃; for 1h;89%
With sodium iodide In acetone for 6h; Heating;75%
With iodine; magnesium In diethyl ether at 20℃; for 13h;71%
(2S)-2-methyl-1-butanol
1565-80-6

(2S)-2-methyl-1-butanol

(S)-1-iodo-2-methyl-butane
29394-58-9

(S)-1-iodo-2-methyl-butane

Conditions
ConditionsYield
With 1H-imidazole; iodine; triphenylphosphine In dichloromethane at 20℃; for 2h; Inert atmosphere;83%
With 1H-imidazole; iodine; triphenylphosphine In dichloromethane at 20℃; for 5h;79%
With triphenyl phosphite; iodine In dichloromethane77%
tris-((R)-2-methyl-butyl)-borane

tris-((R)-2-methyl-butyl)-borane

(S)-1-iodo-2-methyl-butane
29394-58-9

(S)-1-iodo-2-methyl-butane

Conditions
ConditionsYield
With sodium hydroxide; iodine In tetrahydrofuran; water
(2S)-2-methyl-1-butanol
1565-80-6

(2S)-2-methyl-1-butanol

benzoic acid ester of (-)(S)-2-methyl-butanol-(1)

benzoic acid ester of (-)(S)-2-methyl-butanol-(1)

(S)-1-iodo-2-methyl-butane
29394-58-9

(S)-1-iodo-2-methyl-butane

Conditions
ConditionsYield
With diethyl ether; magnesium iodide
(S)-2-Methylbutyl tetrahydropyranyl ether
130797-59-0

(S)-2-Methylbutyl tetrahydropyranyl ether

(S)-1-iodo-2-methyl-butane
29394-58-9

(S)-1-iodo-2-methyl-butane

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: p-TsOH*H2O / methanol / 4 h / Heating
2: pyridine / 12 h / 0 - 5 °C
3: 75 percent / NaI / acetone / 6 h / Heating
View Scheme
Multi-step reaction with 3 steps
1: 96 percent / pyridinium p-toluenesulfonate / ethanol / 12 h / Ambient temperature
2: 98 percent / pyridine / 12 h / 0 - 5 °C
3: 66 percent / sodium iodide / acetone / 12 h / Heating
View Scheme
(S)-2-methyl-1-butyl methanesulfonate
104418-40-8

(S)-2-methyl-1-butyl methanesulfonate

(S)-1-iodo-2-methyl-butane
29394-58-9

(S)-1-iodo-2-methyl-butane

Conditions
ConditionsYield
With sodium iodide In acetone Finkelstein reaction; Reflux;
(S)-1-iodo-2-methyl-butane
29394-58-9

(S)-1-iodo-2-methyl-butane

1-bromo-2-(methoxymethoxy)benzene
68314-54-5

1-bromo-2-(methoxymethoxy)benzene

(S)-1-(methoxymethoxy)-2-(2-methylbutyl)benzene
1361331-82-9

(S)-1-(methoxymethoxy)-2-(2-methylbutyl)benzene

Conditions
ConditionsYield
Stage #1: 1-bromo-2-(methoxymethoxy)benzene With magnesium In tetrahydrofuran Kumada coupling reaction; Inert atmosphere; Reflux;
Stage #2: (S)-1-iodo-2-methyl-butane With iron(III)-acetylacetonate; N,N,N,N,-tetramethylethylenediamine; hexamethylenetetramine In tetrahydrofuran at 0℃; for 1.5h; Kumada coupling reaction;
98%
Stage #1: (S)-1-iodo-2-methyl-butane With magnesium In tetrahydrofuran for 1h; Inert atmosphere; Heating;
Stage #2: 1-bromo-2-(methoxymethoxy)benzene With N,N,N,N,N,N-hexamethylphosphoric triamide; iron(III)-acetylacetonate; N,N,N,N,-tetramethylethylenediamine In tetrahydrofuran at 0℃; for 1.5h; Kumada coupling reaction; Inert atmosphere;
98%
(S)-1-iodo-2-methyl-butane
29394-58-9

(S)-1-iodo-2-methyl-butane

((S)-9-Methyl-tridecane-1-sulfonyl)-benzene
185745-69-1

((S)-9-Methyl-tridecane-1-sulfonyl)-benzene

((3S,13S)-3,13-Dimethyl-heptadecane-5-sulfonyl)-benzene
185745-73-7

((3S,13S)-3,13-Dimethyl-heptadecane-5-sulfonyl)-benzene

Conditions
ConditionsYield
With n-butyllithium In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; hexane 1.) -78 deg C to -30 deg C, 2.) -78 deg C to r.t., 5 h;95%
(S)-1-iodo-2-methyl-butane
29394-58-9

(S)-1-iodo-2-methyl-butane

N-((R)-2-Hydroxy-1-methyl-2-phenyl-ethyl)-N-methyl-propionamide
69856-85-5, 69856-87-7

N-((R)-2-Hydroxy-1-methyl-2-phenyl-ethyl)-N-methyl-propionamide

(2S,4S)-N-[(1'R,2'R)-2'-hydroxy-1'-methyl-2'-phenylethyl]-N-methyl-2,4-dimethylhexanamide
192060-48-3

(2S,4S)-N-[(1'R,2'R)-2'-hydroxy-1'-methyl-2'-phenylethyl]-N-methyl-2,4-dimethylhexanamide

Conditions
ConditionsYield
With n-butyllithium; diisopropylamine; lithium chloride In tetrahydrofuran at 23℃; for 18h;94%
(S)-1-iodo-2-methyl-butane
29394-58-9

(S)-1-iodo-2-methyl-butane

N-[(1S,2S)-2-hydroxy-1-methyl-2-phenylethyl]-N-methylpropionamide
159213-03-3

N-[(1S,2S)-2-hydroxy-1-methyl-2-phenylethyl]-N-methylpropionamide

(2R,4S)-N-((1S,2S)-1-hydroxy-1-phenylpropan-2-yl)-N,2,4-trimethylhexanamide
192060-47-2

(2R,4S)-N-((1S,2S)-1-hydroxy-1-phenylpropan-2-yl)-N,2,4-trimethylhexanamide

Conditions
ConditionsYield
With n-butyllithium; diisopropylamine; lithium chloride In tetrahydrofuran at 23℃; for 20h;94%
Stage #1: N-[(1S,2S)-2-hydroxy-1-methyl-2-phenylethyl]-N-methylpropionamide With n-butyllithium; lithium chloride; lithium diisopropyl amide In tetrahydrofuran; hexane at -78℃; for 1h; Inert atmosphere;
Stage #2: (S)-1-iodo-2-methyl-butane In tetrahydrofuran; hexane at 0 - 20℃; for 18h; Inert atmosphere;
74%
(S)-1-iodo-2-methyl-butane
29394-58-9

(S)-1-iodo-2-methyl-butane

(R)-Citronellal
2385-77-5

(R)-Citronellal

(3S,5RS,7R)-(+)-3,7,11-trimethyldodec-10-en-5-ol

(3S,5RS,7R)-(+)-3,7,11-trimethyldodec-10-en-5-ol

Conditions
ConditionsYield
Stage #1: (S)-1-iodo-2-methyl-butane With tert.-butyl lithium In diethyl ether; pentane at -78 - 20℃; for 0.333333h; Inert atmosphere;
Stage #2: (R)-Citronellal In diethyl ether; pentane at -78℃; for 1.5h; Inert atmosphere;
Stage #3: With hydrogenchloride; ammonium chloride In diethyl ether; water; pentane Cooling with ice;
86%
(S)-1-iodo-2-methyl-butane
29394-58-9

(S)-1-iodo-2-methyl-butane

(S)-Citronellal
5949-05-3

(S)-Citronellal

(3S,5RS,7S)-3,7,11-trimethyl-10-dodecen-5-ol
1262552-53-3

(3S,5RS,7S)-3,7,11-trimethyl-10-dodecen-5-ol

Conditions
ConditionsYield
Stage #1: (S)-1-iodo-2-methyl-butane With tert.-butyl lithium In diethyl ether; pentane at -78 - 20℃; for 0.333333h; Inert atmosphere;
Stage #2: (S)-Citronellal In diethyl ether; pentane at -78℃; for 1.5h; Inert atmosphere;
Stage #3: With hydrogenchloride; ammonium chloride In diethyl ether; water; pentane Cooling with ice;
84%
(S)-1-iodo-2-methyl-butane
29394-58-9

(S)-1-iodo-2-methyl-butane

triphenylphosphine
603-35-0

triphenylphosphine

(S)-(2-methyl-butyl)triphenylphosphonium iodide
93119-12-1

(S)-(2-methyl-butyl)triphenylphosphonium iodide

Conditions
ConditionsYield
In toluene at 105℃; for 63h; Inert atmosphere;82%
2-methyl-1,3-dithian
6007-26-7

2-methyl-1,3-dithian

(S)-1-iodo-2-methyl-butane
29394-58-9

(S)-1-iodo-2-methyl-butane

(S)-(+)-2-(2-methylbutyl)-2-methyl-1,3-dithiane
136024-50-5

(S)-(+)-2-(2-methylbutyl)-2-methyl-1,3-dithiane

Conditions
ConditionsYield
With n-butyllithium 1.) hexane, THF, -70 degC to 0 degC, 3 h, 2a.) THF, -78 degC, 1 h, 2b.) room temp., 12 h;81%
(S)-1-iodo-2-methyl-butane
29394-58-9

(S)-1-iodo-2-methyl-butane

Lithium 2-lithiopropionate

Lithium 2-lithiopropionate

(2RS,4S)-(+)-2,4-Dimethylhexansaeure
42329-90-8, 42330-37-0, 70621-82-8, 130248-45-2

(2RS,4S)-(+)-2,4-Dimethylhexansaeure

Conditions
ConditionsYield
With N,N,N,N,N,N-hexamethylphosphoric triamide In tetrahydrofuran at -15℃; for 2h;80%
phenylacetic acid
103-82-2

phenylacetic acid

(S)-1-iodo-2-methyl-butane
29394-58-9

(S)-1-iodo-2-methyl-butane

(2R,4S)-4-methyl-2-phenylhexanoic acid
1314887-10-9

(2R,4S)-4-methyl-2-phenylhexanoic acid

Conditions
ConditionsYield
Stage #1: phenylacetic acid With n-butyllithium; C29H44N4 In tetrahydrofuran; hexanes at 0℃; Inert atmosphere;
Stage #2: (S)-1-iodo-2-methyl-butane In tetrahydrofuran; hexanes at -78℃; for 10h; Inert atmosphere; optical yield given as %de; diastereoselective reaction;
79%
(S)-1-iodo-2-methyl-butane
29394-58-9

(S)-1-iodo-2-methyl-butane

(1R,2R)-(-)-pseudoephedrinepropionamide
192060-67-6

(1R,2R)-(-)-pseudoephedrinepropionamide

(2S,4S)-N-[(1'R,2'R)-2'-hydroxy-1'-methyl-2'-phenylethyl]-N-methyl-2,4-dimethylhexanamide
192060-48-3

(2S,4S)-N-[(1'R,2'R)-2'-hydroxy-1'-methyl-2'-phenylethyl]-N-methyl-2,4-dimethylhexanamide

Conditions
ConditionsYield
Stage #1: (1R,2R)-(-)-pseudoephedrinepropionamide With n-butyllithium; lithium chloride; lithium diisopropyl amide In tetrahydrofuran; hexane at -78℃; for 1h; Inert atmosphere;
Stage #2: (S)-1-iodo-2-methyl-butane In tetrahydrofuran; hexane at 0 - 20℃; for 18h; Inert atmosphere;
79%
Stage #1: (1R,2R)-(-)-pseudoephedrinepropionamide With n-butyllithium; diisopropylamine; lithium chloride In tetrahydrofuran; hexane at -78 - 25℃; for 1.33333h;
Stage #2: (S)-1-iodo-2-methyl-butane In tetrahydrofuran; hexane at 0 - 25℃; for 24h;
(S)-1-iodo-2-methyl-butane
29394-58-9

(S)-1-iodo-2-methyl-butane

diethyl malonate
105-53-3

diethyl malonate

diethyl S-(+)-2-methyl-1-butyl malonate
6210-82-8

diethyl S-(+)-2-methyl-1-butyl malonate

Conditions
ConditionsYield
With ethanol; sodium In ethanol at 0 - 20℃;76.5%
(S)-1-iodo-2-methyl-butane
29394-58-9

(S)-1-iodo-2-methyl-butane

((R)-9-Methyl-tridecane-1-sulfonyl)-benzene
185745-70-4

((R)-9-Methyl-tridecane-1-sulfonyl)-benzene

((3S,13R)-3,13-Dimethyl-heptadecane-5-sulfonyl)-benzene
185745-71-5

((3S,13R)-3,13-Dimethyl-heptadecane-5-sulfonyl)-benzene

Conditions
ConditionsYield
With n-butyllithium In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; hexane 1.) -78 deg C to -30 deg C, 2.) -78 deg C to r.t., 5 h;72%
(S)-1-iodo-2-methyl-butane
29394-58-9

(S)-1-iodo-2-methyl-butane

2,2':6',2''-Terpyridin-4'(1'H)-one
128143-88-4

2,2':6',2''-Terpyridin-4'(1'H)-one

C20H21N3O
1171117-90-0

C20H21N3O

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 12h; Inert atmosphere;71%
3-hydroxyquinoline
580-18-7

3-hydroxyquinoline

(S)-1-iodo-2-methyl-butane
29394-58-9

(S)-1-iodo-2-methyl-butane

(5)-3-(2-methylbutyloxy)quinoline
1607440-41-4

(5)-3-(2-methylbutyloxy)quinoline

Conditions
ConditionsYield
With potassium carbonate In dimethyl sulfoxide at 80℃; for 4h;68%
phenylacetic acid
103-82-2

phenylacetic acid

(S)-1-iodo-2-methyl-butane
29394-58-9

(S)-1-iodo-2-methyl-butane

(2S,4S)-4-methyl-2-phenylhexanoic acid
1314887-07-4

(2S,4S)-4-methyl-2-phenylhexanoic acid

Conditions
ConditionsYield
Stage #1: phenylacetic acid With n-butyllithium; N1,N3-bis((R)-1-phenyl-2-(piperidin-1-yl)ethyl)propane-1,3-diamine In tetrahydrofuran; hexanes at 0℃; Inert atmosphere;
Stage #2: (S)-1-iodo-2-methyl-butane In tetrahydrofuran; hexanes at -78℃; for 10h; Inert atmosphere; optical yield given as %de; diastereoselective reaction;
67%
(S)-1-iodo-2-methyl-butane
29394-58-9

(S)-1-iodo-2-methyl-butane

(5,10,15,20-tetraphenyl-2-aza-21-carbaporphyrinato)nickel(II)
177841-46-2

(5,10,15,20-tetraphenyl-2-aza-21-carbaporphyrinato)nickel(II)

(5,10,15,20-tetraphenyl-21-(S-2'-methylbutyl)-2-aza-21-carbaporphyrinato)nickel(II)

(5,10,15,20-tetraphenyl-21-(S-2'-methylbutyl)-2-aza-21-carbaporphyrinato)nickel(II)

Conditions
ConditionsYield
With potassium carbonate In ethanol; dichloromethane under N2; mixt. of Ni complex and S-2-(methyliodo)butane (7 equiv.) in CH2Cl2-EtOH contg. suspn. of K2CO3 refluxed for 3 h; solvent evapd. under reduced pressure; dissolved in CH2Cl2; chromd. (silica gel, CH2Cl2); second brown-reddish band collected; crystd. from CH2Cl2-hexane; mixt. of two diastereomers (1:1) obtained;66%
(S)-1-iodo-2-methyl-butane
29394-58-9

(S)-1-iodo-2-methyl-butane

diethyl 5,5′,6,6′,9,9′,10,10′-octamethoxy-2H,2′H-[1,1′-bidibenzo[e,g]isoindole]-3,3′-dicarboxylate
1419569-71-3

diethyl 5,5′,6,6′,9,9′,10,10′-octamethoxy-2H,2′H-[1,1′-bidibenzo[e,g]isoindole]-3,3′-dicarboxylate

diethyl 5,5′,6,6′,9,9′,10,10′-octamethoxy-2,2′-bis((S)-2-methylbutyl)-2H,2′H-[1,1′-bidibenzo[e,g]isoindole]-3,3′-dicarboxylate
1419569-83-7

diethyl 5,5′,6,6′,9,9′,10,10′-octamethoxy-2,2′-bis((S)-2-methylbutyl)-2H,2′H-[1,1′-bidibenzo[e,g]isoindole]-3,3′-dicarboxylate

Conditions
ConditionsYield
Stage #1: diethyl 5,5′,6,6′,9,9′,10,10′-octamethoxy-2H,2′H-[1,1′-bidibenzo[e,g]isoindole]-3,3′-dicarboxylate With 18-crown-6 ether; potassium carbonate In tetrahydrofuran for 0.5h; Inert atmosphere;
Stage #2: (S)-1-iodo-2-methyl-butane In tetrahydrofuran at 90℃; for 48h; Inert atmosphere;
64%
(S)-1-iodo-2-methyl-butane
29394-58-9

(S)-1-iodo-2-methyl-butane

(-)-(S)-2-methyl-1-nitrobutane
947383-55-3

(-)-(S)-2-methyl-1-nitrobutane

Conditions
ConditionsYield
With silver(I) nitrite In diethyl ether 1.) 0 deg C, 24 h; 2.) RT, 48 h;62%
(S)-1-iodo-2-methyl-butane
29394-58-9

(S)-1-iodo-2-methyl-butane

(S)-1,3-benzodithiole-1-oxide
142235-67-4

(S)-1,3-benzodithiole-1-oxide

2-<(S)-2'-methylbutyl>-2-<(S)-2"-methylbutyl>-1,3-benzodithiole 1-oxide
142181-72-4, 142235-74-3

2-<(S)-2'-methylbutyl>-2-<(S)-2"-methylbutyl>-1,3-benzodithiole 1-oxide

Conditions
ConditionsYield
With potassium hexamethylsilazane In tetrahydrofuran; toluene for 72h; Ambient temperature;54%
(S)-1-iodo-2-methyl-butane
29394-58-9

(S)-1-iodo-2-methyl-butane

benzo-1,3-dithiolane-1-oxide
153782-37-7

benzo-1,3-dithiolane-1-oxide

A

2-<(S)-2'-methylbutyl>-2-<(S)-2"-methylbutyl>-1,3-benzodithiole 1-oxide
142181-72-4, 142235-74-3

2-<(S)-2'-methylbutyl>-2-<(S)-2"-methylbutyl>-1,3-benzodithiole 1-oxide

B

2-<(S)-2'-methylbutyl>-2-<(S)-2"-methylbutyl>-1,3-benzodithiole 1-oxide
142181-72-4, 142235-74-3

2-<(S)-2'-methylbutyl>-2-<(S)-2"-methylbutyl>-1,3-benzodithiole 1-oxide

Conditions
ConditionsYield
With potassium hexamethylsilazane In tetrahydrofuran; toluene Ambient temperature;A 47%
B 40%
di(pyridin-2-yl)amine
1202-34-2

di(pyridin-2-yl)amine

(S)-1-iodo-2-methyl-butane
29394-58-9

(S)-1-iodo-2-methyl-butane

N-(S)-2-methylbutyldipyridylamine
790666-71-6

N-(S)-2-methylbutyldipyridylamine

Conditions
ConditionsYield
Stage #1: di(pyridin-2-yl)amine With sodium hydride In dimethyl sulfoxide at 60℃; for 12h;
Stage #2: (S)-1-iodo-2-methyl-butane In dimethyl sulfoxide at 60℃; for 24h;
34%
bis(acetonitrile)dichloroplatinum(II)
13869-38-0, 21264-32-4, 13869-42-6

bis(acetonitrile)dichloroplatinum(II)

(S)-1-iodo-2-methyl-butane
29394-58-9

(S)-1-iodo-2-methyl-butane

diiodo-tetra-tert-butylhexaphosphapentaprismane

diiodo-tetra-tert-butylhexaphosphapentaprismane

di-(S)-2-methylbutyl-hexaphosphapentaprismane-platin(II)-dichloride

di-(S)-2-methylbutyl-hexaphosphapentaprismane-platin(II)-dichloride

Conditions
ConditionsYield
Stage #1: (S)-1-iodo-2-methyl-butane With potassium; magnesium chloride In tetrahydrofuran for 3h;
Stage #2: diiodo-tetra-tert-butylhexaphosphapentaprismane In tetrahydrofuran at -80℃;
Stage #3: bis(acetonitrile)dichloroplatinum(II) In tetrahydrofuran for 28h; diastereoselective reaction;
31%
(S)-1-iodo-2-methyl-butane
29394-58-9

(S)-1-iodo-2-methyl-butane

benzo-1,3-dithiolane-1-oxide
153782-37-7

benzo-1,3-dithiolane-1-oxide

A

2-(2'-methylbutyl)-1,3-benzodithiole 1-oxide
142181-71-3

2-(2'-methylbutyl)-1,3-benzodithiole 1-oxide

B

2-(2'-methylbutyl)-1,3-benzodithiole 1-oxide
142235-73-2

2-(2'-methylbutyl)-1,3-benzodithiole 1-oxide

C

2-(2'-methylbutyl)-1,3-benzodithiole 1-oxide
142235-72-1

2-(2'-methylbutyl)-1,3-benzodithiole 1-oxide

D

2-(2'-methylbutyl)-1,3-benzodithiole 1-oxide
142235-71-0

2-(2'-methylbutyl)-1,3-benzodithiole 1-oxide

Conditions
ConditionsYield
With potassium hexamethylsilazane In tetrahydrofuran; toluene for 72h; Ambient temperature;A 30%
B 8%
C 8%
D 24%
3,6-dithiophen-2-yl-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione

3,6-dithiophen-2-yl-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione

(S)-1-iodo-2-methyl-butane
29394-58-9

(S)-1-iodo-2-methyl-butane

2,5-dimethylbutyl-3,6-dithiophen-2-ylpyrrolo[3,4-c]pyrrole-1,4-dione
1386439-79-7

2,5-dimethylbutyl-3,6-dithiophen-2-ylpyrrolo[3,4-c]pyrrole-1,4-dione

Conditions
ConditionsYield
Stage #1: 3,6-dithiophen-2-yl-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione With potassium carbonate In N,N-dimethyl-formamide at 120℃; Inert atmosphere;
Stage #2: (S)-1-iodo-2-methyl-butane In N,N-dimethyl-formamide at 125℃; for 15h;
30%
3,6-dibromo-9H-carbazole
6825-20-3

3,6-dibromo-9H-carbazole

(S)-1-iodo-2-methyl-butane
29394-58-9

(S)-1-iodo-2-methyl-butane

(S)-3,6-dibromo-9-(2-methylbutyl)-9H-carbazole

(S)-3,6-dibromo-9-(2-methylbutyl)-9H-carbazole

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 24h;26%
dichloro(1,5-cyclooctadiene)palladium(II)
12107-56-1

dichloro(1,5-cyclooctadiene)palladium(II)

(S)-1-iodo-2-methyl-butane
29394-58-9

(S)-1-iodo-2-methyl-butane

diiodo-tetra-tert-butylhexaphosphapentaprismane

diiodo-tetra-tert-butylhexaphosphapentaprismane

di-(S)-2-methylbutyl-hexaphosphapentaprismane-palladium(II)-dichloride

di-(S)-2-methylbutyl-hexaphosphapentaprismane-palladium(II)-dichloride

Conditions
ConditionsYield
Stage #1: (S)-1-iodo-2-methyl-butane With potassium; magnesium chloride In tetrahydrofuran for 3h;
Stage #2: diiodo-tetra-tert-butylhexaphosphapentaprismane In tetrahydrofuran at -80℃;
Stage #3: dichloro(1,5-cyclooctadiene)palladium(II) In tetrahydrofuran for 20.5h; diastereoselective reaction;
23%

Butane,1-iodo-2-methyl-, (2S)- Specification

The Butane,1-iodo-2-methyl-, (2S)-, with the CAS registry number 29394-58-9, has the systematic name of (2S)-1-iodo-2-methylbutane. It is a kind of clear colorless to yellow liquid, and belongs to the following product categories: Chiral Building Blocks; Halogenated Hydrocarbons; Organic Building Blocks. The molecular formula of the chemical is C5H11I.

The characteristics of Butane,1-iodo-2-methyl-, (2S)- are as followings: (1)ACD/LogP: 3.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.44; (4)ACD/LogD (pH 7.4): 3.44; (5)ACD/BCF (pH 5.5): 241.6; (6)ACD/BCF (pH 7.4): 241.6; (7)ACD/KOC (pH 5.5): 1767.8; (8)ACD/KOC (pH 7.4): 1767.8; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: Å2; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 38.14 cm3; (15)Molar Volume: 130.2 cm3; (16)Polarizability: 15.12×10-24cm3; (17)Surface Tension: 29 dyne/cm; (18)Density: 1.52 g/cm3; (19)Flash Point: 42.8 °C; (20)Enthalpy of Vaporization: 36.78 kJ/mol; (21)Boiling Point: 146.6 °C at 760 mmHg; (22)Vapour Pressure: 5.82 mmHg at 25°C.

You should be cautious while dealing with this chemical. It is a kind of flammable chemical which irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Keep away from sources of ignition - No smoking; Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: IC[C@@H](C)CC
(2)InChI: InChI=1/C5H11I/c1-3-5(2)4-6/h5H,3-4H2,1-2H3/t5-/m0/s1
(3)InChIKey: RHBHXHXNWHTGSO-YFKPBYRVBR

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