Product Name

  • Name

    TRI-N-BUTYLALUMINUM

  • EINECS 214-240-0
  • CAS No. 1116-70-7
  • Article Data13
  • CAS DataBase
  • Density 0.711
  • Solubility
  • Melting Point -27 °C
  • Formula C12H27Al
  • Boiling Point 98°C
  • Molecular Weight 198.328
  • Flash Point
  • Transport Information
  • Appearance
  • Safety 6A-57-45-43E-36/37/39-29-26-16
  • Risk Codes 67-65-50/53-34-14/15-11
  • Molecular Structure Molecular Structure of 1116-70-7 (TRI-N-BUTYLALUMINUM)
  • Hazard Symbols N-C-F
  • Synonyms Tri-n-Butylaluminum;Tributylalane;Tributylaluminum;
  • PSA 0.00000
  • LogP 5.26230

Synthetic route

(i-Bu3Al)2*diphos

(i-Bu3Al)2*diphos

tri(n-butyl)aluminium
1116-70-7

tri(n-butyl)aluminium

Conditions
ConditionsYield
In neat (no solvent) heated slowly under 1E-2 mmHg in a trap-to-trap distillation apparatus (receiver flask at -196 °C), liberation of i-Bu3Al started at 80 °C, the rate was more satisfactory at 120-130 °C;;88%
1-iodo-butane
542-69-8

1-iodo-butane

tri(n-butyl)aluminium
1116-70-7

tri(n-butyl)aluminium

Conditions
ConditionsYield
With aluminium-magnesium
1-bromo-butane
109-65-9

1-bromo-butane

methoxybenzene
100-66-3

methoxybenzene

magnesium aluminium-alloy

magnesium aluminium-alloy

tri(n-butyl)aluminium
1116-70-7

tri(n-butyl)aluminium

Conditions
ConditionsYield
at 110℃;
...Expand
tri-sec-butyl alane

tri-sec-butyl alane

tri(n-butyl)aluminium
1116-70-7

tri(n-butyl)aluminium

NaF*2Al(n-C4H9)3

NaF*2Al(n-C4H9)3

A

Na{Al(n-C4H9)3F}

Na{Al(n-C4H9)3F}

B

tri(n-butyl)aluminium
1116-70-7

tri(n-butyl)aluminium

Conditions
ConditionsYield
by heating under reduced pressure;
aluminum(III) borohydride

aluminum(III) borohydride

dibutylmagnesium
1191-47-5

dibutylmagnesium

magnesium borohydride

magnesium borohydride

B

tri(n-butyl)aluminium
1116-70-7

tri(n-butyl)aluminium

Conditions
ConditionsYield
In toluene mixing of Mg(C4H9)2 and Al(BH4)3 (in 3:2 molar ratio) in toluene, pptn.,stirring overnight; filtration, washing with toluene; drying under vac.; monitoring by XRD and NMR;
...Expand
aluminum (III) chloride
7446-70-0, 7784-13-6

aluminum (III) chloride

1-iodo-butane
542-69-8

1-iodo-butane

tri(n-butyl)aluminium
1116-70-7

tri(n-butyl)aluminium

Conditions
ConditionsYield
Stage #1: 1-iodo-butane With n-butyllithium In tetrahydrofuran Inert atmosphere; Glovebox;
Stage #2: aluminum (III) chloride In tetrahydrofuran at 20℃; for 0.75h; Inert atmosphere; Glovebox;
dibutylmagnesium
1191-47-5

dibutylmagnesium

tri(n-butyl)aluminium
1116-70-7

tri(n-butyl)aluminium

(C4H9)2AlOAl(C4H9)OMgC4H9
84560-30-5

(C4H9)2AlOAl(C4H9)OMgC4H9

Conditions
ConditionsYield
With water In n-heptane H2O add. (medical syringe, 4-6 h, 30-40°C ) into Al- and Mg-compds. (molar ratio Al:Mg=2:1) soln.; soln. sepn. from ppt., heptane driving off (30-40°C, 1-5 mm); elem. anal.;100%
dibutylmagnesium
1191-47-5

dibutylmagnesium

tri(n-butyl)aluminium
1116-70-7

tri(n-butyl)aluminium

[(AlO)(MgO)(C4H9)]40

[(AlO)(MgO)(C4H9)]40

Conditions
ConditionsYield
With water In diethyl ether; n-heptane equimolar amount of water soln. (ether) addn. (dropwise) to Al- and Mg-compds. soln. (heptane) at 20-25°C during 1-2 h, solvents drivingoff, polymer keeping for 1 h at 150°C at residual pressure of 1-5 mm; elem. anal.;100%
With water In n-heptane H2O add. (medical syringe, 4-6 h, 30-40°C) into Al- and Mg-compds. (molar ratio Al:Mg=1:1) soln.; soln. sepn. from ppt., heptane driving off (30-40°C, 1-5 mm); elem. anal.;100%
tri-n-butylboroxine
7359-98-0

tri-n-butylboroxine

tri(n-butyl)aluminium
1116-70-7

tri(n-butyl)aluminium

tributyl borane
122-56-5

tributyl borane

Conditions
ConditionsYield
at 100 - 140℃; for 5h; Product distribution / selectivity;96.7%
In paraffin at 100 - 140℃; for 3h; Product distribution / selectivity;63.3%
tri(n-butyl)aluminium
1116-70-7

tri(n-butyl)aluminium

tris(dimethylamino)stibine
7289-92-1

tris(dimethylamino)stibine

A

{(C4H9)2AlN(CH3)2}2

{(C4H9)2AlN(CH3)2}2

B

tributylstibine
2155-73-9

tributylstibine

Conditions
ConditionsYield
In neat (no solvent) under N2; Al-compd. added slowly over a period of 2 h to Sb-compd. at 0°C with stirring, warmed slowly to room temp., stirred for 4 h, heated for 12 h at 120°C;; monitored by NMR, fractional distn., Al-compd. isolated by distn.;;A 95%
B 87%
In benzene-d6 addn. of Al-compd. to soln. of Sb-compd. in a NMR tube;; not isolated, monitored by 1H-, 13C-NMR spectroscopy;;
...Expand
tri(n-butyl)aluminium
1116-70-7

tri(n-butyl)aluminium

dibenzylamine
103-49-1

dibenzylamine

[(C4H9)2AlN(CH2C6H5)2]2

[(C4H9)2AlN(CH2C6H5)2]2

Conditions
ConditionsYield
In pentane dry argon, Schlenk setup, nearly 1:1 mixt., pentane evapd., heated to 110°C; recrystd. (hexane, -15°C), elem. anal.;95%
tri(n-butyl)aluminium
1116-70-7

tri(n-butyl)aluminium

N-tert-butylbenzylamine
3378-72-1

N-tert-butylbenzylamine

[C4H9AlC4H9NCH2C6H4]2

[C4H9AlC4H9NCH2C6H4]2

Conditions
ConditionsYield
In toluene ligand in toluene and Al-salt in toluene were mixed in tube at room temp. under inert atm., heated at 120°C for 1 d, cooled to room temp.; cooled to -15°C; elem. anal.;93%
(1R,2R)-trans-N-phthaloyl-1,2-diaminocyclohexane
216586-53-7

(1R,2R)-trans-N-phthaloyl-1,2-diaminocyclohexane

tri(n-butyl)aluminium
1116-70-7

tri(n-butyl)aluminium

C30H38N2O4

C30H38N2O4

Conditions
ConditionsYield
In toluene at -10 - 110℃; for 2h; Inert atmosphere;92.3%
In toluene at -10 - 110℃; for 2h; Inert atmosphere;92.3%
tri(n-butyl)aluminium
1116-70-7

tri(n-butyl)aluminium

Methanesulfonic acid (S)-1-[5,5-dimethyl-2-((Z)-5-phenyl-pent-1-enyl)-[1,3]dioxan-2-yl]-ethyl ester
105378-00-5

Methanesulfonic acid (S)-1-[5,5-dimethyl-2-((Z)-5-phenyl-pent-1-enyl)-[1,3]dioxan-2-yl]-ethyl ester

2-Butyl-5,5-dimethyl-2-((Z)-(S)-1-methyl-6-phenyl-hex-2-enyl)-[1,3]dioxane
105378-07-2

2-Butyl-5,5-dimethyl-2-((Z)-(S)-1-methyl-6-phenyl-hex-2-enyl)-[1,3]dioxane

Conditions
ConditionsYield
With n-butyllithium In hexane; dichloromethane at -18 - -15℃; for 3h;92%
tri(n-butyl)aluminium
1116-70-7

tri(n-butyl)aluminium

tin(IV) chloride
7646-78-8

tin(IV) chloride

tetra-n-butyltin(IV)
1461-25-2

tetra-n-butyltin(IV)

Conditions
ConditionsYield
In dibutyl ether90%
In dibutyl ether90%
In hexane; pentane74.7%
cobaltocenium chloride

cobaltocenium chloride

tri(n-butyl)aluminium
1116-70-7

tri(n-butyl)aluminium

{(C5H5)2Co}(1+)*{(C4H9)3AlCl}(1-)={(C5H5)2Co}{(C4H9)3AlCl}

{(C5H5)2Co}(1+)*{(C4H9)3AlCl}(1-)={(C5H5)2Co}{(C4H9)3AlCl}

Conditions
ConditionsYield
In diethyl ether dropping of ethereal soln. of Al compd. into suspn. of Co complex at 20°C; elem. anal.;90%
Benzyl-isopropyl-amin
102-97-6

Benzyl-isopropyl-amin

tri(n-butyl)aluminium
1116-70-7

tri(n-butyl)aluminium

[(C4H9)2AlN(CH(CH3)2)CH2C6H5]2
488099-05-4, 487011-02-9

[(C4H9)2AlN(CH(CH3)2)CH2C6H5]2

Conditions
ConditionsYield
In toluene vac. line technique; mixt. of Al compd. (1 equiv.) and amine (1 equiv.) in toluene was heated at 80-100°C for 12-36 h; NMR monitoring;90%
antimony(III) trioxide

antimony(III) trioxide

tri(n-butyl)aluminium
1116-70-7

tri(n-butyl)aluminium

tributylstibine
2155-73-9

tributylstibine

Conditions
ConditionsYield
In hexane molar ratio of Al(C4H9)3 and Sb2O3 = 3 : 1, 1 to 2 h, 60°C; distn.;87%
In hexane molar ratio of Al(C4H9)3 and Sb2O3 = 3 : 1, 1 to 2 h, 60°C; distn.;87%
dibutylmagnesium
1191-47-5

dibutylmagnesium

tri(n-butyl)aluminium
1116-70-7

tri(n-butyl)aluminium

(C4H9)2AlOMgC4H9
84560-31-6

(C4H9)2AlOMgC4H9

Conditions
ConditionsYield
With water In n-heptane H2O add. (medical syringe, 4-6 h, 30-40°C) into Al- and Mg-compds. (molar ratio Al:Mg=1:1) soln.; soln. sepn. from ppt., heptane driving off (30-40°C, 1-5 mm); elem. anal.;86.7%
C24H36O5Si

C24H36O5Si

tri(n-butyl)aluminium
1116-70-7

tri(n-butyl)aluminium

C28H46O5Si

C28H46O5Si

Conditions
ConditionsYield
Stage #1: tri(n-butyl)aluminium With tertiary butyl chloride In dichloromethane at -78 - 20℃;
Stage #2: C24H36O5Si In dichloromethane at -78℃; for 4h;
Stage #3: With water; ammonium chloride In dichloromethane regioselective reaction;		86%
tri(n-butyl)aluminium
1116-70-7

tri(n-butyl)aluminium

(S)-2-methylsulfonyloxy-1-(4-methoxyphenyl)-1-propanone 2,2-dimethyl-trimethylene acetal
103593-55-1

(S)-2-methylsulfonyloxy-1-(4-methoxyphenyl)-1-propanone 2,2-dimethyl-trimethylene acetal

2-Butyl-2-[(S)-1-(4-methoxy-phenyl)-ethyl]-5,5-dimethyl-[1,3]dioxane
105378-05-0

2-Butyl-2-[(S)-1-(4-methoxy-phenyl)-ethyl]-5,5-dimethyl-[1,3]dioxane

Conditions
ConditionsYield
With n-butyllithium In hexane; dichloromethane at -15 - 0℃; for 15h;84%
2-Methoxynaphthalene
93-04-9

2-Methoxynaphthalene

tri(n-butyl)aluminium
1116-70-7

tri(n-butyl)aluminium

2-butylnaphthalene
1134-62-9

2-butylnaphthalene

Conditions
ConditionsYield
Stage #1: 2-Methoxynaphthalene With bis(1,5-cyclooctadiene)nickel (0); 1,2-bis-(dicyclohexylphosphino)ethane In di-isopropyl ether; toluene at 20℃; for 0.0833333h; Glovebox; Inert atmosphere;
Stage #2: tri(n-butyl)aluminium In di-isopropyl ether; toluene at 100℃; for 72h; Glovebox; Inert atmosphere;		84%
N,N'-ethylenediphthalimide
607-26-1

N,N'-ethylenediphthalimide

tri(n-butyl)aluminium
1116-70-7

tri(n-butyl)aluminium

C30H39AlN2O4

C30H39AlN2O4

Conditions
ConditionsYield
In toluene at -10 - 110℃; for 1h; Inert atmosphere;83.4%
C30H38N2O4

C30H38N2O4

tri(n-butyl)aluminium
1116-70-7

tri(n-butyl)aluminium

C34H45AlN2O4

C34H45AlN2O4

Conditions
ConditionsYield
In toluene at -5 - 80℃; for 2h; Inert atmosphere;83%
In toluene at -10 - 110℃; for 1h; Inert atmosphere;83%
C26H32N2O4

C26H32N2O4

tri(n-butyl)aluminium
1116-70-7

tri(n-butyl)aluminium

C30H39AlN2O4

C30H39AlN2O4

Conditions
ConditionsYield
In toluene at -5 - 90℃; for 2h; Inert atmosphere;81.5%
In toluene at -5 - 90℃; for 2h; Inert atmosphere;81.5%
In toluene at -5 - 90℃; for 2h; Inert atmosphere;81.5%
(1R,2R)-trans-N-phthaloyl-1,2-diaminocyclohexane
216586-53-7

(1R,2R)-trans-N-phthaloyl-1,2-diaminocyclohexane

tri(n-butyl)aluminium
1116-70-7

tri(n-butyl)aluminium

C34H45AlN2O4

C34H45AlN2O4

Conditions
ConditionsYield
In hexane at 0 - 100℃; for 1h; Inert atmosphere;81.5%
In toluene at 0 - 110℃; for 1h; Inert atmosphere;81.5%
tri(n-butyl)aluminium
1116-70-7

tri(n-butyl)aluminium

2,2-diethyl-4,6-diphenyl-2H-pyran
113519-65-6

2,2-diethyl-4,6-diphenyl-2H-pyran

(6E)-9-ethyl-5,7-diphenylundeca-6,8-dien-5-ol
113519-74-7

(6E)-9-ethyl-5,7-diphenylundeca-6,8-dien-5-ol

Conditions
ConditionsYield
In benzene at 25℃; for 2h;80%
N,N'-ethylenediphthalimide
607-26-1

N,N'-ethylenediphthalimide

tri(n-butyl)aluminium
1116-70-7

tri(n-butyl)aluminium

C26H32N2O4

C26H32N2O4

Conditions
ConditionsYield
In hexane at 0 - 40℃; for 12h; Inert atmosphere;79.6%
Stage #1: N,N'-ethylenediphthalimide; tri(n-butyl)aluminium In hexane at 0 - 40℃; for 12h; Inert atmosphere;
Stage #2: With water In hexane Inert atmosphere;		79.6%
In hexane at 0 - 40℃; for 12h; Inert atmosphere;79.6%
4-chloro-2H-1-benzopyran-2-one
17831-88-8

4-chloro-2H-1-benzopyran-2-one

tri(n-butyl)aluminium
1116-70-7

tri(n-butyl)aluminium

(Z)-5-butyl-7-(o-hydroxyphenyl)undec-6-en-5-ol
145982-74-7

(Z)-5-butyl-7-(o-hydroxyphenyl)undec-6-en-5-ol

Conditions
ConditionsYield
In toluene for 20h; 1.) -50 deg C, 30 min, 2.) -> room temperature;79%
3-chloro-2H-chromen-2-one
92-45-5

3-chloro-2H-chromen-2-one

tri(n-butyl)aluminium
1116-70-7

tri(n-butyl)aluminium

A

(E)-2-chloro-1-(o-hydroxyphenyl)hept-1-en-3-ol
133380-25-3

(E)-2-chloro-1-(o-hydroxyphenyl)hept-1-en-3-ol

B

(E)-3-butyl-2-chloro-1-(o-hydroxyphenyl)hept-1-en-3-ol
133380-17-3

(E)-3-butyl-2-chloro-1-(o-hydroxyphenyl)hept-1-en-3-ol

Conditions
ConditionsYield
In toluene at 0℃; for 10h;A 78%
B 7%
...Expand
3-bromo-2H-chromen-2-one
939-18-4

3-bromo-2H-chromen-2-one

tri(n-butyl)aluminium
1116-70-7

tri(n-butyl)aluminium

A

(E)-2-bromo-1-(o-hydroxyphenyl)hept-1-en-3-ol
133380-28-6

(E)-2-bromo-1-(o-hydroxyphenyl)hept-1-en-3-ol

B

(E)-2-bromo-3-butyl-1-(o-hydroxyphenyl)hept-1-en-3-ol
133380-21-9

(E)-2-bromo-3-butyl-1-(o-hydroxyphenyl)hept-1-en-3-ol

Conditions
ConditionsYield
In toluene at 0℃; for 10h;A 78%
B 5%
...Expand
tri(n-butyl)aluminium
1116-70-7

tri(n-butyl)aluminium

(E)-N-benzylidenebenzenamine
1750-36-3, 33993-35-0, 538-51-2, 137431-97-1, 137432-04-3

(E)-N-benzylidenebenzenamine

A

N-Benzylaniline
758640-21-0

N-Benzylaniline

B

N-phenyl-(1-phenylpentyl)amine
62740-72-1

N-phenyl-(1-phenylpentyl)amine

Conditions
ConditionsYield
With zirconocene dichloride In dichloromethane at 10℃; for 24h;A 20%
B 75%
...Expand
iodobenzene
591-50-4

iodobenzene

tert-butylisonitrile
119072-55-8, 7188-38-7

tert-butylisonitrile

tri(n-butyl)aluminium
1116-70-7

tri(n-butyl)aluminium

Phenyl-1,2-hexanedione
33720-29-5

Phenyl-1,2-hexanedione

Conditions
ConditionsYield
Stage #1: iodobenzene; tert-butylisonitrile; tri(n-butyl)aluminium With 1,3-bis-(diphenylphosphino)propane; palladium dichloride In toluene at 20℃; for 0.0833333h; Sealed tube; Inert atmosphere;
Stage #2: With potassium tert-butylate In toluene at 20 - 100℃; for 16h; Sealed tube; Inert atmosphere;
Stage #3: With hydrogenchloride; water In toluene at 20℃; for 1h; Sealed tube; Inert atmosphere;		75%
...Expand
dibutylmagnesium
1191-47-5

dibutylmagnesium

tri(n-butyl)aluminium
1116-70-7

tri(n-butyl)aluminium

C4H9MgOAl(C4H9)OMgC4H9
84584-28-1

C4H9MgOAl(C4H9)OMgC4H9

Conditions
ConditionsYield
With water In n-heptane byproducts: butane; H2O add. (medical syringe, 4-6 h, 30-40°C) into Al- and Mg-compds. (molar ratio Al:Mg=1:2) soln.; soln. sepn. from ppt., heptane driving off (30-40°C, 1-5 mm); elem. anal.;72.3%
tri(n-butyl)aluminium
1116-70-7

tri(n-butyl)aluminium

4-methoxy-N-[(E)-phenylmethylidene]aniline
1613-90-7

4-methoxy-N-[(E)-phenylmethylidene]aniline

A

benzyl(4-methoxyphenyl)amine
17377-95-6

benzyl(4-methoxyphenyl)amine

B

N-(4-methoxyphenyl)-α-butylbenzenemethaneamine
132554-75-7

N-(4-methoxyphenyl)-α-butylbenzenemethaneamine

Conditions
ConditionsYield
With zirconocene dichloride In dichloromethane at 10℃; for 24h;A 22%
B 71%
...Expand

Tri-n-butylaluminium Specification

The Tri-n-butylaluminium with the cas number 1116-70-7 is also called Tributylalane. Both the systematic name and IUPAC name are Tributylaluminum. Its EINECS registry number is 214-240-0. This chemical should be stored at water-free area.

Properties Computed from Structure: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 0; (3)Rotatable Bond Count: 9; (4)Exact Mass: 198.192814; (5)MonoIsotopic Mass: 198.192814; (6)Topological Polar Surface Area: 0; (7)Heavy Atom Count: 13; (8)Formal Charge: 0; (9)Complexity: 72.1; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter Count: 0; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 1.

Uses: This chemical can react with 3,5-dimethyl-isothiazole-4-carbaldehyde, to product 1-(3,5-dimethyl-4-isothiazolyl)-1-hydroxypentane. This reaction needs solvent benzene at heating condition. The reaction time is8.0 hours. The yield is 64%.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCC[Al](CCCC)CCCC
(2)InChI: InChI=1/3C4H9.Al/c3*1-3-4-2;/h3*1,3-4H2,2H3;/rC12H27Al/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3
(3)InChIKey: SQBBHCOIQXKPHL-AZMOWNLDAQ 

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View