tert-Butylisocyanate supplier

Name
tert-Butylisocyanate
EINECS 216-544-9
CAS No. 1609-86-5
Article Data82
CAS DataBase
Density 0.868
Solubility Reacts

Melting Point <-25oC

Formula C5H9 N O

Boiling Point 85 C

Molecular Weight 99.1326

Flash Point 24 ºF

Transport Information UN 2484

Appearance clear liquid

Safety S16;S26;S36/37/39;S45

Risk Codes R11;R14;R22;R26;R34;R37;R42

Molecular Structure

Hazard Symbols

Synonyms Isocyanicacid, tert-butyl ester (6CI,7CI,8CI);1,1-Dimethylethyl isocyanate;2-Isocyanato-2-methylpropane;t-Butylisocyanate;tert-Butyl isocyanate;Propane,2-isocyanato-2-methyl-;

PSA 29.43000

LogP 1.12070

Synthetic route

Cp*Mo[N(iPr)C(Me)N(iPr)](NtBu)

1641-69-6
[13C]Carbon monoxide

A

1241890-64-1
(η5-C5Me5)*Mo{N(iPr)C(Me)N(iPr)}(CO)2

B

1609-86-5
Tert-butyl isocyanate

Conditions

Conditions Yield

In benzene-d6 at 25℃; for 96h; A 100%
B n/a

...Expand

124-38-9
carbon dioxide

165535-45-5
1-ethyl-2,2,4,4,4-pentakis(dimethylamino)-2λ5,4λ5-catenadi(phosphazene)

A

91241-12-2
Bis(dimethylamino)<amino>phosphane oxide

B

1609-86-5
Tert-butyl isocyanate

Conditions

Conditions Yield

In benzene-d6 at 60℃; under 760.051 Torr; for 12h; Schlenk technique; Sealed tube; Inert atmosphere; A 99%
B n/a

...Expand

(t-C4H9NC)2NiOCNC4H9-t

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

A

19068-11-2
tetrakis(tert-n-butylisocyanide)nickel(0)

B

1609-86-5
Tert-butyl isocyanate

Conditions

Conditions Yield

In toluene react. with excess t-C4H9NCO in toluene at room temp.;; A n/a
B 98%

In toluene react. with excess t-C4H9NCO in toluene at room temp.;; A n/a
B 98%

...Expand

75-44-5
phosgene

75-64-9
tert-butylamine

1609-86-5
Tert-butyl isocyanate

Conditions

Conditions Yield

In chlorobenzene at 335 - 345℃; under 0 Torr; 97.9%

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

A

tert-Butyl-(dichloro-phenyl-silanyl)-amine

B

1609-86-5
Tert-butyl isocyanate

Conditions

Conditions Yield

With Phenyltrichlorosilane at 130 - 170℃; for 3.5h; A n/a
B 96.4%

tert-butylaminoformyl chloride

1609-86-5
Tert-butyl isocyanate

Conditions

Conditions Yield

With pyridine; N-Methylpyrrole; toluene-4-sulfonic acid; triethylamine; citric acid In chlorobenzene at 110℃; for 13h; Solvent; Temperature; 94%

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

124-38-9
carbon dioxide

A

{Cp*3Ta3(μ2-O)3(μ3-O)(μ-Cl)Cl3}

B

1609-86-5
Tert-butyl isocyanate

Conditions

Conditions Yield

In benzene-d6 a soln. of Ta-complex in C6D6 was heated at 140 ° C under CO2 for 12 h; (1)H NMR monitoring; not isolated, yields given by NMR; A 78%
B 92%

...Expand

169772-25-2
2-(tert-butylamino)-2-oxoacetic acid

1609-86-5
Tert-butyl isocyanate

Conditions

Conditions Yield

With ammonium peroxydisulfate; silver nitrate; copper(II) sulfate In hexane; water at 40℃; for 3h; 85%

With ammonium peroxydisulfate; copper diacetate; silver nitrate In hexane; water at 40℃; for 3h; 85%

124-38-9
carbon dioxide

75-64-9
tert-butylamine

1609-86-5
Tert-butyl isocyanate

Conditions

Conditions Yield

With di-isopropyl azodicarboxylate; triphenylphosphine In dichloromethane at -78 - 20℃; under 760 Torr; 84%

With di-isopropyl azodicarboxylate; triphenylphosphine 1.) dichloromethane, -5 deg C to -10 deg C, 2.) dichloromethane, -78 deg C, ambient temp.; Yield given; Multistep reaction;

754-10-9
2,2-dimethylpropionamide

32503-27-8
tetra(n-butyl)ammonium hydrogensulfate

1609-86-5
Tert-butyl isocyanate

Conditions

Conditions Yield

With sodium hydroxide; hypochloric acid In dichloromethane; water 83%

N-(tert-butyl)-5-(chloromethyl)-1,3-oxathiolan-2-imine

A

3221-15-6
2-(chloromethyl)thiirane

B

1609-86-5
Tert-butyl isocyanate

Conditions

Conditions Yield

In quinoline at 230℃; A 12%
B 81%

4083-64-1
Tosyl isocyanate

75-64-9
tert-butylamine

1609-86-5
Tert-butyl isocyanate

Conditions

Conditions Yield

Stage #1: Tosyl isocyanate; tert-butylamine In 5,5-dimethyl-1,3-cyclohexadiene at 0℃; for 4h; Reflux;
Stage #2: In 5,5-dimethyl-1,3-cyclohexadiene at 83 - 90℃; Solvent; 80%

22975-87-7
tert-butyl-(di-tert-butyl-diaziridin-3-ylidene)-amine

A

683223-12-3
1,2,4-tri(tert-butyl)semicarbazide

B

13952-69-7
1,2-di-tert-butylhydrazine

C

75-64-9
tert-butylamine

D

1609-86-5
Tert-butyl isocyanate

Conditions

Conditions Yield

With water In 1,4-dioxane for 2h; Reflux; A 69%
B n/a
C n/a
D n/a

...Expand

507-19-7
t-butyl bromide

20236-50-4
silver (I) nitro cyanamide

1609-86-5
Tert-butyl isocyanate

Conditions

Conditions Yield

In diethyl ether at 25℃; for 4h; 63%

With magnesium sulfate In diethyl ether at 25℃; for 4h; 63%

32824-82-1
(Ni(O2)(CNC4H9-t)2)x

670-54-2
ethenetetracarbonitrile

A

24917-37-1
(t-C4H9NC)2Ni(NC)2CC(CN)2

B

36008-95-4
(t-C4H9NC)3Ni(NC)2CC(CN)2

C

80937-33-3
oxygen

D

1609-86-5
Tert-butyl isocyanate

Conditions

Conditions Yield

In toluene react. in toluene at -20 °C;; A 38.8%
B n/a
C 56.3%
D 59.2%

In toluene react. in toluene at -20 °C;; A 38.8%
B n/a
C 56.3%
D 59.2%

...Expand

64011-17-2
N,N',N"-tris(tert-butyl)sulfur triimide

1495-54-1
isocyanatophosphoryl difluoride

A

Di-tert-butyl-difluorophosphoryl-Schwefeltriimid

B

1609-86-5
Tert-butyl isocyanate

Conditions

Conditions Yield

In methylbutane at -70 - 10℃; for 16h; A 55%
B n/a

...Expand

24424-99-5
di-tert-butyl dicarbonate

75-64-9
tert-butylamine

1609-86-5
Tert-butyl isocyanate

Conditions

Conditions Yield

With dmap In dichloromethane at 25℃; for 0.166667h; 49%

169772-25-2
2-(tert-butylamino)-2-oxoacetic acid

A

37486-48-9
N,N'-di-tert-butyloxamide

B

1609-86-5
Tert-butyl isocyanate

Conditions

Conditions Yield

With ammonium peroxydisulfate; silver nitrate In dichloromethane; water at 40℃; for 3h; A 14%
B 46%

507-20-0
tertiary butyl chloride

201230-82-2
carbon monoxide

1241890-53-8
{Cp*Mo[N(iPr)C(Me)N(iPr)]}2(μ-η1:η1-N2)

A

1241890-64-1
(η5-C5Me5)*Mo{N(iPr)C(Me)N(iPr)}(CO)2

B

1609-86-5
Tert-butyl isocyanate

Conditions

Conditions Yield

Stage #1: {Cp*Mo[N(iPr)C(Me)N(iPr)]}2(μ-η1:η1-N2) With 1,2,4,5-tetramethylbenzene In benzene-d6 for 70h; Sealed tube; UV-irradiation;
Stage #2: tertiary butyl chloride In benzene-d6 at 80℃; for 27h;
Stage #3: carbon monoxide In benzene-d6 at 25℃; under 258.581 Torr; for 23h; A 34%
B 27%

...Expand

27701-01-5
methyl N-tert-butylcarbamate

1609-86-5
Tert-butyl isocyanate

Conditions

Conditions Yield

With potassium ethoxide

1611-50-3
ethyl N-tert-butylcarbamate

1609-86-5
Tert-butyl isocyanate

Conditions

Conditions Yield

With calcium hydroxide

With formaldehyd; aniline; 2,4-Toluene diisocyanate at 170 - 180℃;

4981-48-0
trimethylacetyl azide

1609-86-5
Tert-butyl isocyanate

Conditions

Conditions Yield

durch Kochen;

Heating;

bei 10 min langem Erwaermen;

754-10-9
2,2-dimethylpropionamide

1609-86-5
Tert-butyl isocyanate

Conditions

Conditions Yield

With lead(IV) acetate In N,N-dimethyl-formamide

With [N-(p-tolylsulfonyl)imino]phenyliodinane In dichloromethane at 20℃; for 1h; Hofmann rearrangement; Inert atmosphere;

24424-99-5
di-tert-butyl dicarbonate

1609-86-5
Tert-butyl isocyanate

Conditions

Conditions Yield

With sodium azide; diphenylsilyl dichloride In quinoline

35580-94-0
N-tert.Butyl-carbamidsaeure-(2-hydroxyphenyl)-ester

1609-86-5
Tert-butyl isocyanate

Conditions

Conditions Yield

at 220 - 260℃;

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

1609-86-5
Tert-butyl isocyanate

Conditions

Conditions Yield

at 190℃; under 12 Torr;

3282-30-2
pivaloyl chloride

1609-86-5
Tert-butyl isocyanate

Conditions

Conditions Yield

With tetrabutylammoniun azide In toluene

75-13-8
isocyanic acid

115-11-7
isobutene

1609-86-5
Tert-butyl isocyanate

Conditions

Conditions Yield

With toluene-4-sulfonic acid

66661-88-9
3-tert-Butyl-1,1,2-trimethyl-isothiourea

4461-33-0
benzoyl isocyanate

1609-86-5
Tert-butyl isocyanate

30885-14-4
N,N'-di-tert-butyldiazetidinedione

1609-86-5
Tert-butyl isocyanate

Conditions

Conditions Yield

at 200℃;

106697-10-3
N1-Benzyl-N1-hydroxy-benzamidin

1609-86-5
Tert-butyl isocyanate

N1-Benzyl-N1-(tert-butyl)carbamoyloxy-benzamidin

Conditions

Conditions Yield

In chloroform 100%

60261-46-3
(2S)-2-[(diphenylphosphino)methyl]pyrrolidine

1609-86-5
Tert-butyl isocyanate

163809-04-9
(S)-1-t-butylaminocarbonyl-2-diphenylphosphinomethylpyrrolidine

Conditions

Conditions Yield

In dichloromethane for 24h; Ambient temperature; 100%

65838-17-7
1,3-di-(N-benzylamino)-2-hydroxypropane

1609-86-5
Tert-butyl isocyanate

1-Benzyl-1-[3-(1-benzyl-3-tert-butyl-ureido)-2-hydroxy-propyl]-3-tert-butyl-urea

Conditions

Conditions Yield

In dichloromethane 100%

565453-43-2
benzyl ((3-hydroxy)adamantan-1-yl)carbamate

1609-86-5
Tert-butyl isocyanate

565453-44-3
(3-tert-butylcarbamoyloxy-adamantan-1-yl)-carbamic acid benzyl ester

Conditions

Conditions Yield

With chloro-trimethyl-silane In dichloromethane at 20℃; for 18h; 100%

329191-57-3
(2S,4S)-Nα-Cbz-4-aminoproline benzyl ester

1609-86-5
Tert-butyl isocyanate

(2S,4S)-1,2-dibenzyloxycarbonyl-4-(3-tert-butylureido)pyrrolidine

Conditions

Conditions Yield

In dichloromethane at 20℃; for 1h; 100%

18437-66-6
N-(t-butoxycarbonyl)-4-chloroaniline

1609-86-5
Tert-butyl isocyanate

207735-50-0
3-(tert-butyl)-6-chloroquinazoline-2,4(1H,3H)-dione

Conditions

Conditions Yield

Stage #1: N-(t-butoxycarbonyl)-4-chloroaniline With tert.-butyl lithium In tetrahydrofuran; pentane at -78 - -20℃; for 2.16667h;
Stage #2: Tert-butyl isocyanate In tetrahydrofuran; pentane at -20 - 20℃; for 15h; Heating / reflux; 100%

Stage #1: N-(t-butoxycarbonyl)-4-chloroaniline With tert.-butyl lithium In tetrahydrofuran at -78 - -20℃; for 2h;
Stage #2: Tert-butyl isocyanate In tetrahydrofuran at -20 - 70℃; for 12h; 98%

909105-54-0
N-{3-[4-amino-1-hydroxy-4-(3-methylbutyl)-3-oxo-3,4-dihydronaphthalen-2-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide

1609-86-5
Tert-butyl isocyanate

N-{3-[4-{[(tert-butylamino)carbonyl]amino}-1-hydroxy-4-(3-methylbutyl)-3-oxo-3,4-dihydronaphthalen-2-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide

Conditions

Conditions Yield

With triethylamine In dichloromethane at 20℃; for 18h; 100%

Sn(N(SiMe3)2)(μ-OBu(t))2Sn(OSiMe3)

1609-86-5
Tert-butyl isocyanate

[Sn(OSiMe3)(μ-OBu(t))]2

Conditions

Conditions Yield

In benzene byproducts: t-BuNCNSiMe3; N2-atmosphere; 1 equiv. isocyanate, 25°C; 100%

In (2)H8-toluene byproducts: t-BuNCNSiMe3; N2-atmosphere; -10°C; not isolated, reaction followed by (1)H-NMR spectroscopy;

[Sn(N(SiMe3)2)(μ-OBu(t))]2

1609-86-5
Tert-butyl isocyanate

Sn(N(SiMe3)2)(μ-OBu(t))2Sn(OSiMe3)

Conditions

Conditions Yield

In benzene byproducts: t-BuNCNSiMe3; N2-atmosphere; 1 equiv. isocyanate, 25°C; 100%

In (2)H8-toluene byproducts: t-BuNCNSiMe3; N2-atmosphere; mixing at -20°C, then warming; not isolated, reaction followed by (1)H-NMR spectroscopy;

144222-22-0
tert-butyl 4-(aminomethyl)piperidine-1-carboxylate

1609-86-5
Tert-butyl isocyanate

614745-54-9
N-tert-butyl-N'-[(1-tert-butoxycarbonylpiperidin-4-yl)methyl]urea

Conditions

Conditions Yield

In N,N-dimethyl-formamide at 20℃; 100%

923010-85-9, 923011-00-1, 923011-01-2
1'-tert-butyl 3-methyl 3-hydroxy-1,4'-bipiperidine-1',3-dicarboxylate

1609-86-5
Tert-butyl isocyanate

923011-11-4
tert-butyl 4-(3-tert-butyl-2,4-dioxo-1-oxa-3,7-diazaspiro[4.5]dec-7-yl)piperidine-1-carboxylate

Conditions

Conditions Yield

With sodium hydride In tetrahydrofuran; mineral oil at 20℃; for 1h; 100%

1-benzylcarbamoyladamantane-3-ol

1609-86-5
Tert-butyl isocyanate

3-[[(tertbutylamino)carbonyl]oxy]-1-benzylcarbamoyladamantane

Conditions

Conditions Yield

With chloro-trimethyl-silane In dichloromethane at 20℃; for 18h; 100%

2216-51-5
(-)-menthol

1609-86-5
Tert-butyl isocyanate

915764-72-6
O-(1R,2S,5R)-5-methyl-2-isopropylcyclohexyl N-tert-butylcarbamate

Conditions

Conditions Yield

With MoCl2O2(dmf)2 In dichloromethane at 20℃; for 2h; 100%

With MoCl2O2(dmf)2 In dichloromethane at 20℃; for 0.333333h; Inert atmosphere; Sealed tube; 100%

1093204-94-4
(R)-2-((2-cyano-3-nitrophenoxy)methyl)pyrrolidinium chloride

1609-86-5
Tert-butyl isocyanate

1093205-07-2
(R)-2-((2-cyano-3-nitrophenoxy)methyl)-N-tert-butylpyrrolidine-1-carboxamide

Conditions

Conditions Yield

100%

2-chloro-5-fluorobenzenesulfonamide

1609-86-5
Tert-butyl isocyanate

N-(tert-butylcarbamoyl)-2-chloro-5-fluorobenzenesulfonamide

Conditions

Conditions Yield

Stage #1: 2-chloro-5-fluorobenzenesulfonamide With potassium hydroxide In water; acetone at 20℃; for 0.25h;
Stage #2: Tert-butyl isocyanate In N,N-dimethyl-formamide at 20℃; 100%

Stage #1: 2-chloro-5-fluorobenzenesulfonamide With potassium hydroxide In water; acetone at 20℃; for 0.25h;
Stage #2: Tert-butyl isocyanate In N,N-dimethyl-formamide at 20℃; 100%

C24H32N4Zr

1609-86-5
Tert-butyl isocyanate

{(C6H4CH2)2Cyclam-1-tert-butylcarboxamidato}Zr

Conditions

Conditions Yield

In benzene-d6 at 60℃; for 48h; Inert atmosphere; Schlenk technique; 100%

138709-55-4
1,3,5-trimethoxy-p-tert-butylcalix[6]arene

1609-86-5
Tert-butyl isocyanate

C75H100N2O9

Conditions

Conditions Yield

Stage #1: 1,3,5-trimethoxy-p-tert-butylcalix[6]arene With barium hydroxide octahydrate In dichloromethane at 20℃; for 0.5h;
Stage #2: Tert-butyl isocyanate In dichloromethane at 20℃; for 50h; 100%

98-54-4
para-tert-butylphenol

1609-86-5
Tert-butyl isocyanate

N-tert-butyl-O-( p-tert-butylphenyl)carbamate

Conditions

Conditions Yield

With potassium carbonate In acetone at 20℃; for 0.5h; 100%

C43H60BN

1609-86-5
Tert-butyl isocyanate

C48H69BN2O

Conditions

Conditions Yield

In benzene at 20℃; for 0.0166667h; Inert atmosphere; Glovebox; Schlenk technique; 100%

methyl 5-(4-hydroxypiperidin-1-yl)-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate

1609-86-5
Tert-butyl isocyanate

methyl 5-(4-((tert-butylcarbamoyl)oxy)piperidin-1-yl)-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate

Conditions

Conditions Yield

In N,N-dimethyl-formamide at 130 - 140℃; for 126h; Microwave irradiation; 100%

100643-71-8
descarboethoxyloratadine

1609-86-5
Tert-butyl isocyanate

N-(t-butyl)-4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine-1-carboxamide

Conditions

Conditions Yield

In tetrahydrofuran at 20℃; for 3h; 100%

4-((4-(pyridin-4-yl)pyrimidin-2-yl)amino)benzohydrazide

1609-86-5
Tert-butyl isocyanate

N-(tert-butyl)-2-(4-((4-(pyridin-4-yl)pyrimidin-2-yl)amino)benzoyl)hydrazine-1-carboxamide

Conditions

Conditions Yield

In ethanol at 70℃; for 4h; 99.24%

109-76-2
Trimethylenediamine

1609-86-5
Tert-butyl isocyanate

64544-74-7
1-tert-Butyl-3-[3-(3-tert-butyl-ureido)-propyl]-urea

Conditions

Conditions Yield

at 20℃; for 2h; Inert atmosphere; 99.2%

22483-09-6
2,2-dimethoxyethylamine

1609-86-5
Tert-butyl isocyanate

92075-15-5
N-tert-Butyl-N'-(2,2-dimethoxyethyl)harnstoff

Conditions

Conditions Yield

In dichloromethane 99%

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

118-10-5
Cinchonin

1609-86-5
Tert-butyl isocyanate

(9S)-9-deoxy-cinchonin-9-yl tert-butylcarbamate

Conditions

Conditions Yield

With dibutyltin(II) dilaurate In toluene at 110℃; for 48h; 99%

6728-31-0
(Z)-4-heptenal

65-85-0
benzoic acid

1609-86-5
Tert-butyl isocyanate

(Z)-1-(tert-butylcarbamoyl)hept-4-enyl benzoate

Conditions

Conditions Yield

In tetrahydrofuran at 20℃; 99%

...Expand

2026-48-4
(S)-valinol

1609-86-5
Tert-butyl isocyanate

1-tert-butyl-3-((S)-1-hydroxymethyl-2-methyl-propyl)-urea

Conditions

Conditions Yield

In tetrahydrofuran at 20℃; for 18h; 99%

Os(η-1,4-(CHMe2)MeC6H4)NBu(t)

1609-86-5
Tert-butyl isocyanate

134654-67-4
{(η6-p-cymene)Os((N-t-Bu)2CO)}

Conditions

Conditions Yield

In benzene under N2; to a soln. of the Os-complex in benzene was condensed t-BuNCO at -196°C, heated at 45°C with stirring for 36 h; solvent was removed in vac.; elem. anal.; 99%

In benzene heating at 45°C for 36h; >98

tert-Butylisocyanate Specification

1. Introduction of tert-Butylisocyanate
Tert-Butylisocyanate is an immidiate for medicine and pesticide. It is also called -Dimethylethyl isocyanate;1,1-dimethylethylisocyanate;2-isocyanato-2-methyl-propan;butylisocyanate(non-specificname) and so on.

2. Properties of tert-Butylisocyanate
bp : 85-86 °C(lit.)
density : 0.868 g/mL at 25 °C(lit.)
refractive index : n20/D 1.386(lit.)
Fp : 24 °F
storage temp. : 2-8°C
Sensitive : Moisture Sensitive

3. Safety Information of tert-Butylisocyanate
Hazard Codes : F,T+,T
Risk Statements :
R11:Highly flammable.
R14 :Reacts violently with water.
R22:Harmful if swallowed.
R26:Very toxic by inhalation.
R34:Causes burns.
R37:Irritating to respiratory system
R42:May cause sensitization by inhalation.
R36/37/38:Irritating to eyes, respiratory system and skin.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.
R10:Flammable.
Safety Statements :
S16:Keep away from sources of ignition.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S43:In case of fire use ... (there follows the type of fire-fighting equipment to be used.)
S30:Never add water to this product.
RIDADR : UN 2484 6.1/PG 1
WGK Germany : 3
F : 10-21
HazardClass : 6.1
PackingGroup : I

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Conditions	Yield
In toluene react. with excess t-C4H9NCO in toluene at room temp.;;	A n/a B 98%
In toluene react. with excess t-C4H9NCO in toluene at room temp.;;	A n/a B 98%

Conditions	Yield
With ammonium peroxydisulfate; silver nitrate; copper(II) sulfate In hexane; water at 40℃; for 3h;	85%
With ammonium peroxydisulfate; copper diacetate; silver nitrate In hexane; water at 40℃; for 3h;	85%

Conditions	Yield
With di-isopropyl azodicarboxylate; triphenylphosphine In dichloromethane at -78 - 20℃; under 760 Torr;	84%
With di-isopropyl azodicarboxylate; triphenylphosphine 1.) dichloromethane, -5 deg C to -10 deg C, 2.) dichloromethane, -78 deg C, ambient temp.; Yield given; Multistep reaction;

Conditions	Yield
In diethyl ether at 25℃; for 4h;	63%
With magnesium sulfate In diethyl ether at 25℃; for 4h;	63%

Conditions	Yield
In toluene react. in toluene at -20 °C;;	A 38.8% B n/a C 56.3% D 59.2%
In toluene react. in toluene at -20 °C;;	A 38.8% B n/a C 56.3% D 59.2%

Conditions	Yield
With calcium hydroxide
With formaldehyd; aniline; 2,4-Toluene diisocyanate at 170 - 180℃;

Conditions	Yield
With lead(IV) acetate In N,N-dimethyl-formamide
With [N-(p-tolylsulfonyl)imino]phenyliodinane In dichloromethane at 20℃; for 1h; Hofmann rearrangement; Inert atmosphere;

Conditions	Yield
Stage #1: N-(t-butoxycarbonyl)-4-chloroaniline With tert.-butyl lithium In tetrahydrofuran; pentane at -78 - -20℃; for 2.16667h; Stage #2: Tert-butyl isocyanate In tetrahydrofuran; pentane at -20 - 20℃; for 15h; Heating / reflux;	100%
Stage #1: N-(t-butoxycarbonyl)-4-chloroaniline With tert.-butyl lithium In tetrahydrofuran at -78 - -20℃; for 2h; Stage #2: Tert-butyl isocyanate In tetrahydrofuran at -20 - 70℃; for 12h;	98%

Conditions	Yield
In benzene byproducts: t-BuNCNSiMe3; N2-atmosphere; 1 equiv. isocyanate, 25°C;	100%
In (2)H8-toluene byproducts: t-BuNCNSiMe3; N2-atmosphere; -10°C; not isolated, reaction followed by (1)H-NMR spectroscopy;

Conditions	Yield
With MoCl2O2(dmf)2 In dichloromethane at 20℃; for 2h;	100%
With MoCl2O2(dmf)2 In dichloromethane at 20℃; for 0.333333h; Inert atmosphere; Sealed tube;	100%

Conditions	Yield
Stage #1: 2-chloro-5-fluorobenzenesulfonamide With potassium hydroxide In water; acetone at 20℃; for 0.25h; Stage #2: Tert-butyl isocyanate In N,N-dimethyl-formamide at 20℃;	100%
Stage #1: 2-chloro-5-fluorobenzenesulfonamide With potassium hydroxide In water; acetone at 20℃; for 0.25h; Stage #2: Tert-butyl isocyanate In N,N-dimethyl-formamide at 20℃;	100%

Conditions	Yield
In benzene under N2; to a soln. of the Os-complex in benzene was condensed t-BuNCO at -196°C, heated at 45°C with stirring for 36 h; solvent was removed in vac.; elem. anal.;	99%
In benzene heating at 45°C for 36h;	>98

Product Name

tert-Butylisocyanate

Synthetic route

tert-Butylisocyanate Specification

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