N,N'-Di-tert-butylcarbodiimide supplier

Name
N,N'-Di-tert-butylcarbodiimide
EINECS 211-719-6
CAS No. 691-24-7
Article Data37
CAS DataBase
Density 0.8 g/cm³
Solubility
Melting Point 35 °C
Formula C₉H₁₈N₂
Boiling Point 160.6 °C at 760 mmHg
Molecular Weight 154.255
Flash Point 95 °F
Transport Information UN 1993
Appearance
Safety 26-36
Risk Codes 10-36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Carbodiimide,di-tert-butyl- (6CI,7CI,8CI);1,3-Di-tert-butylcarbodiimide;Bis(tert-butyl)carbodiimide;Di-tert-butylcarbodiimide;2-Propanamine, N-[(1,1-dimethylethyl)carbonimidoyl]-2-methyl-;Dibutylcarbodiimide;
PSA 24.72000
LogP 2.75730

Synthetic route

: 2,4-di-tert-butyl-1,3-bis-tert-butylimino-1λ4,3λ4-[1,3,2,4]ditelluradiazetidine

: 1609-86-5
Tert-butyl isocyanate

A: 691-24-7
1,3-di-tert-butylcarbodiimide

B: 2,4-di-tert-butyl-1-oxo-1λ4-[1,2,4]telluradiazetidin-3-one

Conditions

Conditions	Yield
In tetrahydrofuran; hexane at 23℃; for 1.5h; Cycloaddition;	A n/a B 99%

...Expand

: 4041-95-6
N,N-di-tert-butylthiourea

: 691-24-7
1,3-di-tert-butylcarbodiimide

Conditions

Conditions	Yield
With sodium hypochlorite; sodium hydroxide In benzene at 60 - 65℃; for 4h; Temperature; Large scale;	94%
With 1,1'-Thiocarbonyldi-2(1H)-pyridone In toluene for 1.5h; Heating;	90%
With sodium hypochlorite; Petroleum ether

: 4041-95-6
N,N-di-tert-butylthiourea

A: 142-08-5
2-hydroxypyridin

B: 691-24-7
1,3-di-tert-butylcarbodiimide

Conditions

Conditions	Yield
With di-2-pyridyl thionocarbonate; dmap In acetonitrile for 6h; Ambient temperature;	A n/a B 92%

: 5336-24-3
1,3-di-tert-butylurea

: 603-35-0
triphenylphosphine

A: 691-24-7
1,3-di-tert-butylcarbodiimide

B: 791-28-6
Triphenylphosphine oxide

Conditions

Conditions	Yield
With aluminum oxide In dichloromethane constant current electrolysis;	A 91% B n/a
With aluminum oxide; LutClO4 constant current electrolysis;	A 91% B n/a

...Expand

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

: 75-64-9
tert-butylamine

A: 691-24-7
1,3-di-tert-butylcarbodiimide

B: 5336-24-3
1,3-di-tert-butylurea

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0) In 1,4-dioxane at 20℃; Reagent/catalyst; Temperature;	A 10% B 90%
With oxygen; sodium carbonate; palladium diacetate at 100℃; under 2068.6 Torr; for 3h;	A 31% B 30 % Chromat.

...Expand

: 5336-24-3
1,3-di-tert-butylurea

: 691-24-7
1,3-di-tert-butylcarbodiimide

Conditions

Conditions	Yield
With dichloromethylenedimethyliminium chloride; triethylamine In dichloromethane at 0℃;	85%
With potassium carbonate; 4-bromobenzenesulfonyl chloride; N-benzyl-N,N,N-triethylammonium chloride In chloroform for 13h; Heating; Yield given;

: (chloro)2(η5-C5Me5)(tert-butylimido)tantalum

: 104962-00-7
N-tert-butyl-N'-(2,6-diisopropylphenyl)carbodiimide

A: (η(5)-pentamethylcyclopentadienyl)TaCl2(NC6H3Me2-2,6)

B: 691-24-7
1,3-di-tert-butylcarbodiimide

Conditions

Conditions	Yield
In benzene-d6 heated at 190 ° C under Ar for 10 h; (1)H NMR monitoring; not isolated, yield given by NMR;	A n/a B 80%

...Expand

: (1,2-di-tert-butyldiaziridin-3-ylidene)(methyl)amine

A: 691-24-7
1,3-di-tert-butylcarbodiimide

B: 100-97-0
hexamethylenetetramine

Conditions

Conditions	Yield
With sodium hydride In cyclohexane at 180℃; for 0.583333h;	A n/a B 32%

: 78822-78-3
1,2-Di-tert-butyl-3-(cyanimino)diaziridine

: 691-24-7
1,3-di-tert-butylcarbodiimide

Conditions

Conditions	Yield
In toluene at 100℃; for 3h;	18%

: 917-95-3
t-butylnitrite

A: 691-24-7
1,3-di-tert-butylcarbodiimide

B: 5336-24-3
1,3-di-tert-butylurea

C: 15464-01-4
azo-t-butane

D: 16649-52-8, 54168-23-9, 87339-11-5
2,2'-dimethyl-2,2'-azoxypropane

Conditions

Conditions	Yield
With iron pentacarbonyl In tetrahydrofuran for 1h; Irradiation;	A 1% B 13% C 1% D 4%

...Expand

: 13463-40-6
iron pentacarbonyl

: 917-95-3
t-butylnitrite

A: 927-83-3
di-t-butyldiazene

B: 691-24-7
1,3-di-tert-butylcarbodiimide

C: 5336-24-3
1,3-di-tert-butylurea

D: 16649-52-8, 54168-23-9, 87339-11-5
di-t-butyldiazene N-oxide

Conditions

Conditions	Yield
In tetrahydrofuran Irradiation (UV/VIS); Stirring of nitroso compound in THF under N2, metal carbonyl in THF is added, the soln. is irradiated for 1 h (sunlamp photolysis) at 30°C.; addn. of naphthalene as internal standard, Gc-anal.;	A 1% B 1% C 13% D 4%

...Expand

: 91015-60-0
N,N'-Di-tert.-butyl-isothioharnstoff-S-methylaether

: 691-24-7
1,3-di-tert-butylcarbodiimide

Conditions

Conditions	Yield
at 150℃;

: 98220-98-5
N-(1,3,2-dioxaboryl-2-yl)N-phenyl-N'-t-butylurea

: 691-24-7
1,3-di-tert-butylcarbodiimide

Conditions

Conditions	Yield
at 190℃; under 12 Torr;

: 19656-74-7
N,N'-di-tert-butyldiaziridinone

: 691-24-7
1,3-di-tert-butylcarbodiimide

Conditions

Conditions	Yield
With 1,2-di-tert-butylhydrazine In benzene

: 1,3-Di-tert.-butyl-guanidinium-chlorid

: 691-24-7
1,3-di-tert-butylcarbodiimide

Conditions

Conditions	Yield
(i) aq. NaOCl, Et2O, (ii) aq. NaOH, MeOH; Multistep reaction;

: 13989-64-5
triphenylphosphine-N-tertbutylimine

: 54930-99-3
1,1-dimethyl-4-tert-butyl-3,5-dioxo-1,2,4-triazolidinium hydroxide inner salt

: 691-24-7
1,3-di-tert-butylcarbodiimide

Conditions

Conditions	Yield
In benzene

: 1609-86-5
Tert-butyl isocyanate

: 691-24-7
1,3-di-tert-butylcarbodiimide

Conditions

Conditions	Yield
With 1-ethyl-3-methyl-2,5-dihydro-1H-phosphole oxide In tetralin Heating;

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

: 75-64-9
tert-butylamine

: 691-24-7
1,3-di-tert-butylcarbodiimide

Conditions

Conditions	Yield
With iodine; oxygen; sodium carbonate; palladium diacetate at 100℃; under 2068.6 Torr; for 3h;	86 % Chromat.

: 5577-67-3
trimethyl(tert-butylamino)silane

: 1609-86-5
Tert-butyl isocyanate

: 691-24-7
1,3-di-tert-butylcarbodiimide

Conditions

Conditions	Yield
With n-butyllithium; tin(ll) chloride Yield given. Multistep reaction;

: 423767-51-5
N,N'-di-tert-butylselenourea

: 691-24-7
1,3-di-tert-butylcarbodiimide

Conditions

Conditions	Yield
With oxygen; 1,8-diazabicyclo[5.4.0]undec-7-ene In tetrahydrofuran for 5h; Heating; Yield given;

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

: 691-24-7
1,3-di-tert-butylcarbodiimide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: Se, DBU / tetrahydrofuran / 1 h / Heating 2: DBU, O2 / tetrahydrofuran / 5 h / Heating View Scheme

: 78822-76-1
C10H20N4

: 691-24-7
1,3-di-tert-butylcarbodiimide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 65 percent / t-BuOCl, t-BuOK / CCl4 / 3 h / -75 °C 2: 18 percent / toluene / 3 h / 100 °C View Scheme

: 23044-57-7, 61483-95-2
(tert-butyl)(1-tert-butyl-2-methyldiaziridin-3-ylidene)amine

A: 691-24-7
1,3-di-tert-butylcarbodiimide

B: 100-97-0
hexamethylenetetramine

Conditions

Conditions	Yield
With sodium hydride In cyclohexane at 180℃; for 0.583333h;

: 1189055-47-7
N',N"-di(tert-butyl)-N-methyl-N-hydroxyguanidine O-sulfonic acid

A: 691-24-7
1,3-di-tert-butylcarbodiimide

B: 23044-57-7, 61483-95-2
(tert-butyl)(1-tert-butyl-2-methyldiaziridin-3-ylidene)amine

Conditions

Conditions	Yield
With n-butyllithium In diethyl ether at -25 - 20℃;

: 19756-04-8
tetrakis(dimethylamido)zirconium (IV)

: C20H26FeN4

A: 691-24-7
1,3-di-tert-butylcarbodiimide

B: C19H32FeN6Zr

Conditions

Conditions	Yield
In benzene-d6 at 75℃;

...Expand

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

: 1227476-15-4
Azobenzene

A: 2219-34-3
N-((tert-butylimino)methylene)aniline

B: 691-24-7
1,3-di-tert-butylcarbodiimide

Conditions

Conditions	Yield
With 4C5H5N2Ti(4+)4Br(1-)*2C4H9N(2-) at 115℃; for 24h; Reagent/catalyst; Inert atmosphere; Glovebox; Sealed tube;	A 85 %Spectr. B 12 %Spectr.

...Expand

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

: 332-07-0, 51788-93-3, 51789-00-5
bis-(4-fluorophenyl)diazene

A: 691-24-7
1,3-di-tert-butylcarbodiimide

B: N-((tert-butylimino)methylene)-4-fluoroaniline

Conditions

Conditions	Yield
With 4C5H5N2Ti(4+)4Br(1-)*2C4H9N(2-) at 115℃; for 24h; Inert atmosphere; Glovebox; Sealed tube;	A 8 %Spectr. B 70 %Spectr.

...Expand

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

: 1602-00-2
bis-(4-chloro-phenyl)-diazene

A: 691-24-7
1,3-di-tert-butylcarbodiimide

B: N-((tert-butylimino)methylene)-4-chloroaniline

Conditions

Conditions	Yield
With 4C5H5N2Ti(4+)4Br(1-)*2C4H9N(2-) at 115℃; for 24h; Inert atmosphere; Glovebox; Sealed tube;	A 8 %Spectr. B 70 %Spectr.

...Expand

: 4,4′-bis(trifluoromethoxy)azobenzene

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

A: 691-24-7
1,3-di-tert-butylcarbodiimide

B: C12H13F3N2O

Conditions

Conditions	Yield
With 4C5H5N2Ti(4+)4Br(1-)*2C4H9N(2-) at 115℃; for 24h; Inert atmosphere; Glovebox; Sealed tube;	A 7 %Spectr. B 71 %Spectr.

...Expand

: 79-37-8
oxalyl dichloride

: 691-24-7
1,3-di-tert-butylcarbodiimide

: 26262-88-4
1,3-di-tert-butyl-2,2-dichloroimidazolidine-4,5-dione

Conditions

Conditions	Yield
In dichloromethane at 0 - 23℃; for 1h; Schlenk technique; Inert atmosphere;	99%
In diethyl ether at 0 - 20℃; for 48h; Inert atmosphere; Schlenk technique;	99%
In dichloromethane at 0 - 20℃; for 4h; Inert atmosphere; Schlenk technique;	92%
In diethyl ether at 0 - 20℃; for 1h; Inert atmosphere;

: 691-24-7
1,3-di-tert-butylcarbodiimide

: 25015-63-8
4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane

: (E)-N,N′-di-tert-butyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)formimidamide

Conditions

Conditions	Yield
With C42H56AlN5 In neat (no solvent) at 70℃; for 12h; Sealed tube;	99%

: 691-24-7
1,3-di-tert-butylcarbodiimide

: 10294-34-5
boron trichloride

: 591-51-5
phenyllithium

: C15H23BCl2N2

Conditions

Conditions	Yield
Stage #1: 1,3-di-tert-butylcarbodiimide; phenyllithium In diethyl ether; toluene at -78 - 20℃; for 4h; Inert atmosphere; Schlenk technique; Glovebox; Stage #2: boron trichloride In diethyl ether; hexane; toluene at -78 - 20℃; for 18h; Inert atmosphere; Schlenk technique; Glovebox;	98.4%

...Expand

: 691-24-7
1,3-di-tert-butylcarbodiimide

: 25015-63-8
4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane

: C15H31BN2O2

Conditions

Conditions	Yield
With C37H59AlN2 In neat (no solvent) at 60℃; for 10h; Inert atmosphere;	98%
With [HC{(Me)CN(2,6-iPr2C6H3)}2MgnBu] In benzene-d6 at 80℃; for 60h; Glovebox; Inert atmosphere; Sealed tube;	87%
With 9-borabicyclo[3.3.1]nonane dimer In benzene-d6 at 60℃; for 1h; Inert atmosphere; Glovebox; Schlenk technique;	60%
With C23H31AlN2 In neat (no solvent) at 80℃; for 60h; Temperature; Inert atmosphere; Sealed tube;	69 %Spectr.

: 691-24-7
1,3-di-tert-butylcarbodiimide

: 62-53-3
aniline

: N-phenyl-N',N''-di-tert-butylguanidine

Conditions

Conditions	Yield
With zinc trifluoromethanesulfonate In benzene-d6 at 80℃; for 8h; In air; Sealed tube;	96%
[(Me3Si)2N]3Yb(μ-Cl)Li(THF)3 In tetrahydrofuran at 60℃; for 4h;	93%
With C23H40AlN In toluene at 25℃; for 1h; Inert atmosphere; Schlenk technique;	82%

: 873-73-4
4-n-chlorophenylacetylene

: 691-24-7
1,3-di-tert-butylcarbodiimide

: (E)-N,N'-di-tert-butyl-3-(4-chlorophenyl)propiolamidine

Conditions

Conditions	Yield
With [Y((CH3)4C5Si(CH3)2N(phenyl))(trimethylsilylmethyl)(tetrahydrofuran)2] In toluene at 110℃; for 1h;	95%

: 691-24-7
1,3-di-tert-butylcarbodiimide

: 106-47-8
4-chloro-aniline

: N-(p-chlorophenyl)-N',N''-di-tert-butylguanidine

Conditions

Conditions	Yield
[Me3Si)2N]3Yb(μ-Cl)Li(THF)3 In tetrahydrofuran at 60℃; for 4h;	95%

: 691-24-7
1,3-di-tert-butylcarbodiimide

: 106-49-0
p-toluidine

: N-(p-methylphenyl)-N',N''-di-tert-butylguanidine

Conditions

Conditions	Yield
[(Me3Si)2N]3Yb(μ-Cl)Li(THF)3 In tetrahydrofuran at 60℃; for 4h;	95%
With C23H40AlN In toluene at 25℃; for 1h; Inert atmosphere; Schlenk technique;	89%
With zinc(II) oxide In toluene at 80℃; for 8h;	86%

: 691-24-7
1,3-di-tert-butylcarbodiimide

: 1234094-51-9
Zn2H2((2,4,6-Me3C6H2)NC(Me))2CH)2

: 1403459-35-7
Zn(tBuNCHNtBu)[(2,4,6-Me3C6H2)NC(Me)]2CH)

Conditions

Conditions	Yield
In tetrahydrofuran nuder Ar; soln. of tBuNCNtBu in THF added to Zn complex in THF; stirred at ambient temp.; solvent evapd. in vacuo; elem. anal.;	95%

: 691-24-7
1,3-di-tert-butylcarbodiimide

: 610-30-0
2,4-dinitrobenzoic acid

: (1,3-di-tert-butyl-6-nitro-2,4-dioxo-1,3-diazaspiro-[4.5]deca-6,9-dien-1-ium-8-ylidene)azinate

Conditions

Conditions	Yield
Stage #1: 1,3-di-tert-butylcarbodiimide; 2,4-dinitrobenzoic acid In dichloromethane at 20℃; for 0.5h; Stage #2: With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 16h;	95%

: 75-54-7
Dichloromethylsilane

: 691-24-7
1,3-di-tert-butylcarbodiimide

: 591-51-5
phenyllithium

: C16H27ClN2Si

Conditions

Conditions	Yield
Stage #1: 1,3-di-tert-butylcarbodiimide; phenyllithium In diethyl ether; toluene at -78 - 20℃; for 4h; Inert atmosphere; Schlenk technique; Glovebox; Stage #2: Dichloromethylsilane In diethyl ether; toluene at -78 - 20℃; for 16h; Inert atmosphere; Schlenk technique; Glovebox;	94.6%

...Expand

: 691-24-7
1,3-di-tert-butylcarbodiimide

: 536-74-3
phenylacetylene

: (E)-N,N'-di-tert-butyl-3-phenylpropiolamidine

Conditions

Conditions	Yield
With [Y((CH3)4C5Si(CH3)2N(phenyl))(trimethylsilylmethyl)(tetrahydrofuran)2] In toluene at 110℃; for 1h;	94%

: 691-24-7
1,3-di-tert-butylcarbodiimide

: 766-97-2
4-n-methylphenylacetylene

: (E)-N,N'-di-tert-butyl-3-p-tolylpropiolamidine

Conditions

Conditions	Yield
With [Y((CH3)4C5Si(CH3)2N(phenyl))(trimethylsilylmethyl)(tetrahydrofuran)2] In toluene at 110℃; for 1h;	94%

: 64-18-6
formic acid

: 591-50-4
iodobenzene

: 691-24-7
1,3-di-tert-butylcarbodiimide

: 5894-65-5
N-t-butylbenzamide

Conditions

Conditions	Yield
With palladium diacetate; 1,3-bis(mesityl)imidazolium chloride In toluene at 150℃; for 6h;	94%

...Expand

: 691-24-7
1,3-di-tert-butylcarbodiimide

: 1315307-30-2
p-trifluoromethylphenylchlorohydrazone

: methyl 1-[4-(trifluoromethyl)phenyl]-5-(tert-butylamino)-1H-1,2,4-triazole-3-carboxylate

Conditions

Conditions	Yield
With triethylamine In toluene for 5h; Inert atmosphere; Reflux;	93%

: 691-24-7
1,3-di-tert-butylcarbodiimide

: 96-10-6
diethylaluminium chloride

: 204003-64-5
(CH3CH2)2Al(N(C(CH3)3)C(Cl)N(C(CH3)3))

Conditions

Conditions	Yield
In diethyl ether; hexane N2-atmosphere; 2 equiv. of carbodiimide; stirring (room temp., 8 h); solvent removal (vac.);	92%

: 691-24-7
1,3-di-tert-butylcarbodiimide

: 421-85-2
Trifluoromethanesulfonamide

: N-(bis(tert-butylamino)methylene)-1,1,1-trifluoromethanesulfonamide

Conditions

Conditions	Yield
With nitromethane; copper dichloride for 2h; Milling; Green chemistry;	92%

: bis(trimethylsilyl)acetylenetitanocene

: 691-24-7
1,3-di-tert-butylcarbodiimide

: (cyclopentadienyl)2Ti(κ2-tBuNCNtBu)

Conditions

Conditions	Yield
In pentane at 25℃; for 0.166667h; Inert atmosphere; Glovebox; Sealed tube;	92%

: 691-24-7
1,3-di-tert-butylcarbodiimide

: (1-Naphthylphenylmethylene)ammonium Hexachloroantimonate

: N,N'-di-tert-butyl-N"-(α-naphthylphenylmethylene)guanidinium hexachloroantimonate

Conditions

Conditions	Yield
In dichloromethane at 22℃;	90%

: 691-24-7
1,3-di-tert-butylcarbodiimide

: 88284-48-4
2-(trimethylsilyl)phenyl trifluoromethanesulfonate

: 536-74-3
phenylacetylene

: 1610032-14-8
C29H32N2

Conditions

Conditions	Yield
With potassium fluoride; 18-crown-6 ether In tetrahydrofuran at 20℃; for 9h; Inert atmosphere; regioselective reaction;	90%

...Expand

: 691-24-7
1,3-di-tert-butylcarbodiimide

: 58131-64-9
methyl 2-chloro-2-(2-phenylhydrazono)acetate

: methyl 1-phenyl-5-(tert-butylamino)-1H-1,2,4-triazole-3-carboxylate

Conditions

Conditions	Yield
With triethylamine In toluene for 5h; Inert atmosphere; Reflux;	89%

: 29342-22-1
Moore's ketene

: 691-24-7
1,3-di-tert-butylcarbodiimide

: 1,3-Di-tert-butyl-2-[(Z)-tert-butylimino]-4-oxo-azetidine-3-carbonitrile

Conditions

Conditions	Yield
In benzene Heating;	88%

: 691-24-7
1,3-di-tert-butylcarbodiimide

: (Diphenylmethylene)ammonium Hexachloroantimonate

: N,N'-di-tert-butyl-N"-(diphenylmethylene)guanidinium hexachloroantimonate

Conditions

Conditions	Yield
In dichloromethane at 22℃;	88%

: 109-99-9
tetrahydrofuran

: 691-24-7
1,3-di-tert-butylcarbodiimide

: 37828-54-9
lithium tert-butylamide

: 2C13H28N3(1-)*C4H8O*2Li(1+)

Conditions

Conditions	Yield
-78 deg C, 0.5 h, -78 deg C to 23 deg C;	88%

...Expand

: 691-24-7
1,3-di-tert-butylcarbodiimide

: 610-30-0
2,4-dinitrobenzoic acid

: N-(tert-butyl)-N-(tert-butylcarbamoyl)-2,4-dinitrobenzamide

Conditions

Conditions	Yield
In dichloromethane at 20℃;	88%

N,N'-Di-tert-butylcarbodiimide Specification

The N,N'-Di-tert-butylcarbodiimide, with the CAS registry number 691-24-7, is also known as 1,3-Di-tert-butyl carbodiimide. It belongs to the product categories of Carbodiimides; Carbodiimides Synthetic Reagents; Coupling; Peptide Synthesis. Its EINECS number is 211-719-6. This chemical's molecular formula is C₉H₁₈N₂ and formula weight is 154.25. What's more, its IUPAC name is N,N'-ditert-butylmethanediimine. It is stable at room temperature and pressure, and should be stored in dry and cool place, and protected from sunlight.

Physical properties of N,N'-Di-tert-butylcarbodiimide are: (1)ACD/LogP: 3.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.88; (4)ACD/BCF (pH 5.5): 520.2; (5)ACD/KOC (pH 5.5): 3060.82; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 24.72 Å²; (10)Index of Refraction: 1.434; (11)Molar Refractivity: 50.08 cm³; (12)Molar Volume: 192.2 cm³; (13)Surface Tension: 24.1 dyne/cm; (14)Density: 0.8 g/cm³; (15)Flash Point: 35 °C; (16)Enthalpy of Vaporization: 38.09 kJ/mol; (17)Boiling Point: 160.6 °C at 760 mmHg; (18)Vapour Pressure: 3.08 mmHg at 25°C.

Preparation: this chemical can be prepared by N,N'-di-tert-butyl-thiourea by heating. This reaction will need reagent 1,1'-thiocarbonyldi-2,2'-pyridone and solvent toluene with the reaction time of 1.5 hours. The yield is about 90%.

Uses of N,N'-Di-tert-butylcarbodiimide: it can be used to produce N-(tert-Butyl)-N-(2-chlor-3,4-dioxo-1-cyclobutenyl)cyanamid at the ambient temperature. It will need solvent CH₂Cl₂. The yield is about 81%.

When you are using this chemical, please be cautious about it as the following:
It is flammable and irritating to eyes, respiratory system and skin. In case of contact with eyes, you need rinse immediately with plenty of water and seek medical advice. When using it, you must wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)N=C=NC(C)(C)C
(2)InChI: InChI=1S/C9H18N2/c1-8(2,3)10-7-11-9(4,5)6/h1-6H3
(3)InChIKey: IDVWLLCLTVBSCS-UHFFFAOYSA-N

Product Name

N,N'-Di-tert-butylcarbodiimide

Synthetic route

N,N'-Di-tert-butylcarbodiimide Specification

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