Product Name

  • Name

    2-bromo-3-octylthiophene

  • EINECS
  • CAS No. 145543-83-5
  • Article Data31
  • CAS DataBase
  • Density 1.213 g/cm3
  • Solubility
  • Melting Point
  • Formula C12H19BrS
  • Boiling Point 307.088 °C at 760 mmHg
  • Molecular Weight 275.253
  • Flash Point 139.522 °C
  • Transport Information
  • Appearance
  • Safety 24/25
  • Risk Codes
  • Molecular Structure Molecular Structure of 145543-83-5 (2-bromo-3-octylthiophene)
  • Hazard Symbols
  • Synonyms 2-Bromo-3-n-octylthiophene;
  • PSA 28.24000
  • LogP 5.41360

Synthetic route

3-octylthiophene
65016-62-8

3-octylthiophene

2-bromo-3-octylthiophene
145543-83-5

2-bromo-3-octylthiophene

Conditions
ConditionsYield
With N-Bromosuccinimide In N,N-dimethyl-formamide at 0 - 20℃; Darkness;99%
With N-Bromosuccinimide; acetic acid at 15℃; for 2h;98%
With N-Bromosuccinimide; acetic acid In chloroform at 0℃; for 0.5h; Inert atmosphere;97.9%
3-Bromothiophene
872-31-1

3-Bromothiophene

octylmagnesium bromide
17049-49-9

octylmagnesium bromide

2-bromo-3-octylthiophene
145543-83-5

2-bromo-3-octylthiophene

Conditions
ConditionsYield
With N-Bromosuccinimide Multistep reaction;
octylmagnesium bromide
17049-49-9

octylmagnesium bromide

oxalic acid ester

oxalic acid ester

2-bromo-3-octylthiophene
145543-83-5

2-bromo-3-octylthiophene

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: 78 percent / Ni(dppp)Cl2 / tetrahydrofuran / 12 h / 20 °C
2.1: N-bromosuccinimide / CHCl3 / 4 h / 20 °C
2.2: 90 percent / N-bromosuccinimide / CHCl3 / 4 h / Heating
View Scheme
1-bromo-octane
111-83-1

1-bromo-octane

m-ClC6H4CH2Hal

m-ClC6H4CH2Hal

2-bromo-3-octylthiophene
145543-83-5

2-bromo-3-octylthiophene

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: Mg / diethyl ether
1.2: 73 percent / Ni(dppp)Cl2 / diethyl ether / 24 h / Heating
2.1: 82 percent / NBS / acetic acid; CHCl3
View Scheme
octylmagnesium bromide
17049-49-9

octylmagnesium bromide

2-bromo-3-octylthiophene
145543-83-5

2-bromo-3-octylthiophene

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 61 percent / Ni(dppp)Cl2 / diethyl ether / 35 °C
2: 40 percent / Br2 / acetic acid / 0.5 h / 0 °C
View Scheme
Multi-step reaction with 2 steps
1: 1,3-bis[(diphenylphosphino)propane]dichloronickel(II) / tetrahydrofuran / 15 h / Reflux
2: N-Bromosuccinimide / tetrahydrofuran / 15 h / 25 °C
View Scheme
Multi-step reaction with 2 steps
1: 1,3-bis[(diphenylphosphino)propane]dichloronickel(II) / diethyl ether / 0.25 h / 0 - 5 °C / Inert atmosphere
2: N-Bromosuccinimide; acetic acid / chloroform / 0.5 h / 0 °C / Inert atmosphere
View Scheme
Multi-step reaction with 2 steps
1: 1,3-bis[(diphenylphosphino)propane]dichloronickel(II) / tetrahydrofuran / 15 h / Reflux
2: N-Bromosuccinimide / tetrahydrofuran / 15 h / 0 - 5 °C
View Scheme
1-bromo-octane
111-83-1

1-bromo-octane

2-bromo-3-octylthiophene
145543-83-5

2-bromo-3-octylthiophene

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: magnesium; 1,3-bis[(diphenylphosphino)propane]dichloronickel(II) / diethyl ether
2: N-Bromosuccinimide / N,N-dimethyl-formamide
View Scheme
2-bromo-3-octylthiophene
145543-83-5

2-bromo-3-octylthiophene

N,N-dimethyl-formamide
68-12-2, 33513-42-7

N,N-dimethyl-formamide

3-octyl-2-thiophenecarboxaldehyde
924728-11-0

3-octyl-2-thiophenecarboxaldehyde

Conditions
ConditionsYield
With n-butyllithium In diethyl ether; hexane at -60 - 20℃;96%
Stage #1: 2-bromo-3-octylthiophene With magnesium In tetrahydrofuran Reflux;
Stage #2: N,N-dimethyl-formamide In tetrahydrofuran Reflux;
48%
With n-butyllithium
2-bromo-3-octylthiophene
145543-83-5

2-bromo-3-octylthiophene

5,5'-dibromo-4,4'-bis(oktyl)-2,2'-bithiophene
845785-76-4

5,5'-dibromo-4,4'-bis(oktyl)-2,2'-bithiophene

Conditions
ConditionsYield
With silver fluoride; bis(benzonitrile)palladium(II) dichloride In dimethyl sulfoxide at 30℃; for 16h;96%
With potassium fluoride; cis-dichlorobis(benzonitrile)palladium(II); silver nitrate In dimethyl sulfoxide at 60℃; for 6h;
With bis(benzonitrile)palladium(II) dichloride; silver fluoride In dimethyl sulfoxide
C48H68B2N2O6
1304514-33-7

C48H68B2N2O6

2-bromo-3-octylthiophene
145543-83-5

2-bromo-3-octylthiophene

C60H82N2O2S2
1304514-34-8

C60H82N2O2S2

Conditions
ConditionsYield
With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In tetrahydrofuran; water Suzuki cross-coupling;92%
tri-n-butylstannyl chloride
1461-22-9

tri-n-butylstannyl chloride

2-bromo-3-octylthiophene
145543-83-5

2-bromo-3-octylthiophene

2-(tri-n-butylstannyl)-3-n-octylthiophene

2-(tri-n-butylstannyl)-3-n-octylthiophene

Conditions
ConditionsYield
Stage #1: 2-bromo-3-octylthiophene With magnesium In tetrahydrofuran for 2h; Reflux;
Stage #2: tri-n-butylstannyl chloride In tetrahydrofuran at 0 - 20℃;
92%
2-bromo-3-octylthiophene
145543-83-5

2-bromo-3-octylthiophene

4-methoxycarbonylphenylboronic acid
99768-12-4

4-methoxycarbonylphenylboronic acid

methyl 4-(3-octylthiophen-2-yl)benzoate
1334531-08-6

methyl 4-(3-octylthiophen-2-yl)benzoate

Conditions
ConditionsYield
With potassium phosphate; chloro(2-dicyclohexylphosphino-2’,4’,6’-triisopropyl-1,1‘-biphenyl)[2-(2’-amino-1,1‘-biphenyl’)]palladium(II); tetrabutylammomium bromide In 1-methyl-pyrrolidin-2-one; water; toluene at 90℃; Suzuki-Miyaura cross-coupling; Continuous flow reactor; Inert atmosphere;91%
2-thienyl chloride
96-43-5

2-thienyl chloride

2-bromo-3-octylthiophene
145543-83-5

2-bromo-3-octylthiophene

3-octyl-5'-chloro-2,2'-bithiophene
655241-71-7

3-octyl-5'-chloro-2,2'-bithiophene

Conditions
ConditionsYield
With tetrabutylammomium bromide; potassium carbonate; palladium diacetate In N,N-dimethyl-formamide at 80℃; Heck-type coupling reaction;86%
5,10-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,7-dioctylnaphtho[1,2-b:5,6-b']dithiophene
1398689-60-5

5,10-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,7-dioctylnaphtho[1,2-b:5,6-b']dithiophene

2-bromo-3-octylthiophene
145543-83-5

2-bromo-3-octylthiophene

2,7-dioctyl-5,10-bis(3-octylthiophen-2-yl)naphtho[1,2-b:5,6-b']dithiophene
1398689-61-6

2,7-dioctyl-5,10-bis(3-octylthiophen-2-yl)naphtho[1,2-b:5,6-b']dithiophene

Conditions
ConditionsYield
With tetrakis(triphenylphosphine) palladium(0); tripotassium phosphate "n" hydrate; water In tetrahydrofuran for 20h; Suzuki-Miyaura Coupling; Inert atmosphere; Reflux;86%
4-trifluoromethylphenylboronic acid
128796-39-4

4-trifluoromethylphenylboronic acid

2-bromo-3-octylthiophene
145543-83-5

2-bromo-3-octylthiophene

C19H23F3S

C19H23F3S

Conditions
ConditionsYield
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In 1,2-dimethoxyethane; water Inert atmosphere; Reflux;85%
2,5-dibromothiophen
3141-27-3

2,5-dibromothiophen

2-bromo-3-octylthiophene
145543-83-5

2-bromo-3-octylthiophene

3,3”-dioctyl-2,2’:5’,2”-terthiophene
155166-89-5

3,3”-dioctyl-2,2’:5’,2”-terthiophene

Conditions
ConditionsYield
Stage #1: 2-bromo-3-octylthiophene With magnesium; ethylene dibromide In diethyl ether for 4h; Reflux; Inert atmosphere;
Stage #2: 2,5-dibromothiophen With 1,3-bis[(diphenylphosphino)propane]dichloronickel(II) In diethyl ether for 18h; Reflux; Inert atmosphere;
84%
Stage #1: 2-bromo-3-octylthiophene With magnesium; ethylene dibromide In diethyl ether for 4h; Reflux; Inert atmosphere;
Stage #2: 2,5-dibromothiophen With 1,3-bis[(diphenylphosphino)propane]dichloronickel(II) In diethyl ether for 18h; Reflux;
84%
Stage #1: 2-bromo-3-octylthiophene With magnesium In diethyl ether Metallation;
Stage #2: 2,5-dibromothiophen With 1,3-bis[(diphenylphosphino)propane]dichloronickel(II) In diethyl ether for 20h; Alkylation; Heating; Further stages.;
68%
2-bromo-3-octylthiophene
145543-83-5

2-bromo-3-octylthiophene

5,5'-bis(tri-n-butylstannyl)-2,2'-bithiophene
171290-94-1

5,5'-bis(tri-n-butylstannyl)-2,2'-bithiophene

3,3'''-dioctyl-2,2’:5’,5'':2'',2'''-quaterthiophene
153938-82-0

3,3'''-dioctyl-2,2’:5’,5'':2'',2'''-quaterthiophene

Conditions
ConditionsYield
With triphenylphosphine; tris(dibenzylideneacetone)dipalladium(0) chloroform complex In tetrahydrofuran; N,N-dimethyl-formamide at 75℃; for 48h; Stille coupling;84%
With tetrakis(triphenylphosphine) palladium(0) In toluene Stille Cross Coupling; Inert atmosphere; Reflux;78.1%
5,5″-dibromo-3,3″-dioctyl-2,2′:5′,2″-trithiophene
185350-30-5

5,5″-dibromo-3,3″-dioctyl-2,2′:5′,2″-trithiophene

2-bromo-3-octylthiophene
145543-83-5

2-bromo-3-octylthiophene

3,3′,3′″,3″″-tetraoctyl-2,5′:2′,5″:2″,2′″:5′″,2″″-pentathiophene
1175560-73-2

3,3′,3′″,3″″-tetraoctyl-2,5′:2′,5″:2″,2′″:5′″,2″″-pentathiophene

Conditions
ConditionsYield
Stage #1: 2-bromo-3-octylthiophene With magnesium; ethylene dibromide In diethyl ether for 4h; Reflux; Inert atmosphere;
Stage #2: 5,5″-dibromo-3,3″-dioctyl-2,2′:5′,2″-trithiophene With 1,3-bis[(diphenylphosphino)propane]dichloronickel(II) In diethyl ether for 20h; Reflux; Inert atmosphere;
83%
2-bromo-3-octylthiophene
145543-83-5

2-bromo-3-octylthiophene

2,2-Dimethyl-1,3-propanediol
126-30-7

2,2-Dimethyl-1,3-propanediol

[1',3'-(2',2'-dimethylpropylene)]-3-octyl-2-thienyl boronate
205104-97-8

[1',3'-(2',2'-dimethylpropylene)]-3-octyl-2-thienyl boronate

Conditions
ConditionsYield
Stage #1: 2-bromo-3-octylthiophene With magnesium In tetrahydrofuran for 3h; Heating;
Stage #2: With Trimethyl borate In tetrahydrofuran at 20℃;
Stage #3: 2,2-Dimethyl-1,3-propanediol In diethyl ether
82%
2-bromo-3-octylthiophene
145543-83-5

2-bromo-3-octylthiophene

3,3'-dioctyl-2,2'-bithiophene
138058-53-4

3,3'-dioctyl-2,2'-bithiophene

Conditions
ConditionsYield
With bis(tri-n-butyltin); bis-triphenylphosphine-palladium(II) chloride In N,N-dimethyl-formamide at 85℃; for 24h;78%
With bis-triphenylphosphine-palladium(II) chloride; bis(tri-n-butyltin)67%
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In tetrahydrofuran at 110℃; for 12h;
trimethyl[5-(trimethylstannyl)thieno[3,2-b]thiophen-2-yl]stannane
469912-82-1

trimethyl[5-(trimethylstannyl)thieno[3,2-b]thiophen-2-yl]stannane

2-bromo-3-octylthiophene
145543-83-5

2-bromo-3-octylthiophene

2,5-bis(3-octylthiophen-2-yl)thieno[3,2-b]thiophene

2,5-bis(3-octylthiophen-2-yl)thieno[3,2-b]thiophene

Conditions
ConditionsYield
With tetrakis(triphenylphosphine) palladium(0) In toluene at 110℃; Inert atmosphere;77%
With tetrakis(triphenylphosphine) palladium(0) In toluene at 110℃; for 24h;
chloro-trimethyl-silane
75-77-4

chloro-trimethyl-silane

2-bromo-3-octylthiophene
145543-83-5

2-bromo-3-octylthiophene

3-octyl-2-trimethylsilylthiophene
164991-13-3

3-octyl-2-trimethylsilylthiophene

Conditions
ConditionsYield
Stage #1: 2-bromo-3-octylthiophene With magnesium In tetrahydrofuran for 2h; Heating;
Stage #2: chloro-trimethyl-silane for 6h; Heating;
76%
2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-fluoren-9-one
1116122-63-4

2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-fluoren-9-one

2-bromo-3-octylthiophene
145543-83-5

2-bromo-3-octylthiophene

2,7-bis(3-octylthiophen-2-yl)-9H-fluoren-9-one

2,7-bis(3-octylthiophen-2-yl)-9H-fluoren-9-one

Conditions
ConditionsYield
With tetrakis(triphenylphosphine) palladium(0); tetrabutylammomium bromide; sodium carbonate In water; toluene at 115℃; for 20h; Suzuki Coupling; Inert atmosphere;74.4%
2-bromo-3-octylthiophene
145543-83-5

2-bromo-3-octylthiophene

2-methylthiophene-5-ylmagnesium bromide

2-methylthiophene-5-ylmagnesium bromide

5'-methyl-3-octyl-2,2'-bithiophene
681028-50-2

5'-methyl-3-octyl-2,2'-bithiophene

Conditions
ConditionsYield
With 1,3-bis[(diphenylphosphino)propane]dichloronickel(II) In diethyl ether for 11h; Kumada coupling; Heating;73%
3,4-difluoro-2,5-bis-trimethylstannanylthiophene
870718-97-1

3,4-difluoro-2,5-bis-trimethylstannanylthiophene

2-bromo-3-octylthiophene
145543-83-5

2-bromo-3-octylthiophene

3',4'-difluoro-3,3''-dioctyl-2,2':5',2''-terthiophene

3',4'-difluoro-3,3''-dioctyl-2,2':5',2''-terthiophene

Conditions
ConditionsYield
With tetrakis(triphenylphosphine) palladium(0) In toluene at 110℃; for 24h; Stille Cross Coupling; Schlenk technique; Inert atmosphere;73%
2-bromo-3-octylthiophene
145543-83-5

2-bromo-3-octylthiophene

N,N-dimethyl-formamide
68-12-2, 33513-42-7

N,N-dimethyl-formamide

5-bromo-3-n-octyl-2-thiophenecarbaldehyde
1196714-93-8

5-bromo-3-n-octyl-2-thiophenecarbaldehyde

Conditions
ConditionsYield
Stage #1: N,N-dimethyl-formamide With trichlorophosphate In 1,2-dichloro-ethane at 0℃; for 0.25h; Vilsmeier-Haack Formylation; Inert atmosphere;
Stage #2: 2-bromo-3-octylthiophene In 1,2-dichloro-ethane for 4h; Vilsmeier-Haack Formylation; Inert atmosphere; Reflux;
72.7%
With trichlorophosphate In 1,2-dichloro-ethane Vilsmeier-Haack reaction;
Stage #1: 2-bromo-3-octylthiophene With lithium diisopropyl amide In tetrahydrofuran at -78℃; for 1h;
Stage #2: N,N-dimethyl-formamide In tetrahydrofuran at 20℃; for 6h;
2,5-dibromo-3,4-dimethylthieno[2,3-b]thiophene
845778-61-2

2,5-dibromo-3,4-dimethylthieno[2,3-b]thiophene

1,1'-bis(diphenylphosphino)ferrocene palladium (II) chloride

1,1'-bis(diphenylphosphino)ferrocene palladium (II) chloride

2-bromo-3-octylthiophene
145543-83-5

2-bromo-3-octylthiophene

2,5-bis(3-octylthiophen-2-yl)-3,4-dimethylthieno[2,3-b]thiophene
845778-62-3

2,5-bis(3-octylthiophen-2-yl)-3,4-dimethylthieno[2,3-b]thiophene

Conditions
ConditionsYield
In tetrahydrofuran72%
5,5″″-dibromo-3,3′,3′″3″″-tetraoctyl-2,5′:2′,5″:2″,2′″:5′″,2″″-pentathiophene
1175560-74-3

5,5″″-dibromo-3,3′,3′″3″″-tetraoctyl-2,5′:2′,5″:2″,2′″:5′″,2″″-pentathiophene

2-bromo-3-octylthiophene
145543-83-5

2-bromo-3-octylthiophene

3,3',3'',3'''',3''''',3''''''-hexaoctyl-2,5’:2’,5’’:2’’,2’’’:5’’’,2’’’’:5’’’’,2’’’’’:5’’’’’,2''''''-heptathiophene
1175560-75-4

3,3',3'',3'''',3''''',3''''''-hexaoctyl-2,5’:2’,5’’:2’’,2’’’:5’’’,2’’’’:5’’’’,2’’’’’:5’’’’’,2''''''-heptathiophene

Conditions
ConditionsYield
Stage #1: 2-bromo-3-octylthiophene With magnesium; ethylene dibromide In diethyl ether for 4h; Reflux; Inert atmosphere;
Stage #2: 5,5″″-dibromo-3,3′,3′″3″″-tetraoctyl-2,5′:2′,5″:2″,2′″:5′″,2″″-pentathiophene With 1,3-bis[(diphenylphosphino)propane]dichloronickel(II) In diethyl ether for 20h; Reflux; Inert atmosphere;
72%
5,5'-dibromo-2,2'-bisthiophene
4805-22-5

5,5'-dibromo-2,2'-bisthiophene

2-bromo-3-octylthiophene
145543-83-5

2-bromo-3-octylthiophene

3,3'''-dioctyl-2,2’:5’,5'':2'',2'''-quaterthiophene
153938-82-0

3,3'''-dioctyl-2,2’:5’,5'':2'',2'''-quaterthiophene

Conditions
ConditionsYield
Stage #1: 2-bromo-3-octylthiophene With magnesium; ethylene dibromide In diethyl ether for 3h; Inert atmosphere; Reflux;
Stage #2: 5,5'-dibromo-2,2'-bisthiophene In diethyl ether Reflux; Inert atmosphere;
71%
Stage #1: 2-bromo-3-octylthiophene With magnesium In tetrahydrofuran; ethylene dibromide Inert atmosphere; Sonication;
Stage #2: 5,5'-dibromo-2,2'-bisthiophene With 1,3-bis[(diphenylphosphino)propane]dichloronickel(II) In tetrahydrofuran; ethylene dibromide at 0 - 40℃; for 0.5h; Kumada Cross-Coupling; Inert atmosphere;
65.7%
2,5-dibromothiophen
3141-27-3

2,5-dibromothiophen

2-bromo-3-octylthiophene
145543-83-5

2-bromo-3-octylthiophene

4,4''-dioctyl-2,2':5',2''-terthiophene
161746-02-7

4,4''-dioctyl-2,2':5',2''-terthiophene

Conditions
ConditionsYield
Stage #1: 2-bromo-3-octylthiophene With magnesium In tetrahydrofuran; ethylene dibromide Inert atmosphere; Sonication;
Stage #2: 2,5-dibromothiophen With 1,3-bis[(diphenylphosphino)propane]dichloronickel(II) In tetrahydrofuran; ethylene dibromide at 0 - 40℃; for 0.5h; Kumada Cross-Coupling; Inert atmosphere;
68.5%
octylmagnesium bromide
17049-49-9

octylmagnesium bromide

2-bromo-3-octylthiophene
145543-83-5

2-bromo-3-octylthiophene

2,3-(dioctyl)thiophene

2,3-(dioctyl)thiophene

Conditions
ConditionsYield
With Ni(ddpf)2Cl2 In tetrahydrofuran at 0℃; Reflux;65%
2-bromo-3-octylthiophene
145543-83-5

2-bromo-3-octylthiophene

3-octyl-2-thiophenecarboxaldehyde
924728-11-0

3-octyl-2-thiophenecarboxaldehyde

Conditions
ConditionsYield
Stage #1: 2-bromo-3-octylthiophene With magnesium; iodine In tetrahydrofuran at 40℃; Reflux;
Stage #2: With hydrogenchloride In tetrahydrofuran; water; N,N-dimethyl-formamide; toluene at 5 - 25℃;
64%
2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
61676-62-8

2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-bromo-3-octylthiophene
145543-83-5

2-bromo-3-octylthiophene

2-(3-octylthiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
405165-14-2

2-(3-octylthiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Conditions
ConditionsYield
Stage #1: 2-bromo-3-octylthiophene With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 2.25h; Inert atmosphere;
Stage #2: 2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane In tetrahydrofuran; hexane at -78 - 25℃; for 17h;
64%
Stage #1: 2-bromo-3-octylthiophene With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 2h; Inert atmosphere;
Stage #2: 2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane In tetrahydrofuran; hexane at -78℃; for 5h; Inert atmosphere;
64%
Stage #1: 2-bromo-3-octylthiophene With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 2h; Inert atmosphere; Schlenk technique;
Stage #2: 2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane In tetrahydrofuran; n-heptane Inert atmosphere; Schlenk technique;
54%
Stage #1: 2-bromo-3-octylthiophene With n-butyllithium In tetrahydrofuran; hexane at -80 - -50℃;
Stage #2: 2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane In tetrahydrofuran; hexane at -80 - 20℃; for 4h; Inert atmosphere;
14.83 g
1-bromo-octane
111-83-1

1-bromo-octane

2-bromo-3-octylthiophene
145543-83-5

2-bromo-3-octylthiophene

2,3-(dioctyl)thiophene

2,3-(dioctyl)thiophene

Conditions
ConditionsYield
Stage #1: 1-bromo-octane With magnesium In diethyl ether for 1.5h; Reflux;
Stage #2: 2-bromo-3-octylthiophene With 1,3-bis[(diphenylphosphino)propane]dichloronickel(II) In diethyl ether at 0℃; Reflux;
64%
2,5-bis-trimethylstannanyl-thiophene
86134-26-1

2,5-bis-trimethylstannanyl-thiophene

2-bromo-3-octylthiophene
145543-83-5

2-bromo-3-octylthiophene

3,3”-dioctyl-2,2’:5’,2”-terthiophene
155166-89-5

3,3”-dioctyl-2,2’:5’,2”-terthiophene

Conditions
ConditionsYield
With tris-(dibenzylideneacetone)dipalladium(0); tris-(o-tolyl)phosphine In toluene at 90℃; for 12h;63%
2-bromo-3-octylthiophene
145543-83-5

2-bromo-3-octylthiophene

2-bromo-5-iodo-3-octylhiophene
1085181-82-3

2-bromo-5-iodo-3-octylhiophene

Conditions
ConditionsYield
With [bis(acetoxy)iodo]benzene; iodine In dichloromethane at 0 - 20℃; Inert atmosphere; Darkness;60%

2-Bromo-3-octylthiophene Specification

The CAS register number of 2-Bromo-3-octylthiophene is 145543-83-5. It also can be called as Thiophene,2-bromo-3-octyl- and the systematic name about this chemical is 2-bromo-3-octylthiophene. The molecular formula about this chemical is C12H19BrS and the molecular weight is 275.25. It belongs to the Thiophenes.

Physical properties about 2-Bromo-3-octylthiophene are: (1)ACD/LogP: 6.87; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7; (4)ACD/LogD (pH 7.4): 7; (5)ACD/BCF (pH 5.5): 108376; (6)ACD/BCF (pH 7.4): 108376; (7)ACD/KOC (pH 5.5): 139824; (8)ACD/KOC (pH 7.4): 139824; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 28.24Å2; (11)Index of Refraction: 1.526; (12)Molar Refractivity: 69.674 cm3; (13)Molar Volume: 226.955 cm3; (14)Polarizability: 27.621x10-24cm3; (15)Surface Tension: 36.08 dyne/cm; (16)Enthalpy of Vaporization: 52.579 kJ/mol; (17)Boiling Point: 307.088 °C at 760 mmHg; (18)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1sccc1CCCCCCCC
(2)InChI: InChI=1/C12H19BrS/c1-2-3-4-5-6-7-8-11-9-10-14-12(11)13/h9-10H,2-8H2,1H3
(3)InChIKey: ISONQKSIWXLJOQ-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C12H19BrS/c1-2-3-4-5-6-7-8-11-9-10-14-12(11)13/h9-10H,2-8H2,1H3
(5)Std. InChIKey: ISONQKSIWXLJOQ-UHFFFAOYSA-N

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