1,3,3-Trimethyl-2-methyleneindoline supplier

Name
1,3,3-Trimethyl-2-methyleneindoline
EINECS 204-235-1
CAS No. 118-12-7
Article Data58
CAS DataBase
Density 1 g/cm³
Solubility negligible in water
Melting Point -8 °C
Formula C₁₂H₁₅N
Boiling Point 248 °C at 760 mmHg
Molecular Weight 173.258
Flash Point 101.7 °C
Transport Information UN 3082 9/PG 3
Appearance clear red liquid
Safety 28-60-61-57-37
Risk Codes 22-38-50/53
Molecular Structure
Hazard Symbols Xn,N
Synonyms Indoline,1,3,3-trimethyl-2-methylene- (6CI,7CI,8CI);1,2-Dihydro-1,3,3-trimethyl-2-methyleneindole;1,3,3-Trimethyl-2-methylene-2,3-dihydroindole;1,3-Dihydro-1,3,3-trimethyl-2-methyleneindoline;2,3-Dihydro-1,3,3-trimethyl-2-methyleneindole;2-Methylene-1,3,3-trimethylindoline;Fischer base;Fischer's base;Fischer'smethylene base;NSC 66176;1,3,3-Trimethyl-2-methylidene-2,3-dihydro-1H-indole;
PSA 3.24000
LogP 2.99270

Synthetic route

: 5114-82-9
2-(1,3,3-tri-methylindolin-2-ylidene)acetonitrile

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

Conditions

Conditions	Yield
With hydrogenchloride for 6h; Heating;	100%

: 144598-21-0
spiro-1,3,3-trimethylindoline<2:3'>-3',4'-dihydroisoxazole

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

Conditions

Conditions	Yield
With hydrogenchloride for 6h; Heating;	100%

: 301673-89-2
1,3,3-trimethyl-2-methyleneacetamidoindoline

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

Conditions

Conditions	Yield
With hydrogenchloride for 6h; Heating;	100%

: 1640-39-7
2,3,3-trimethylindoleniune

: 616-38-6
carbonic acid dimethyl ester

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

Conditions

Conditions	Yield
at 180 - 220℃; under 22502.3 - 37503.8 Torr; Inert atmosphere; Sealed tube; Autoclave;	97.8%

: 5418-63-3
1,2,3,3-tetramethyl-3H-indolium iodide

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

Conditions

Conditions	Yield
With sodium hydroxide In diethyl ether; water for 0.5h;	71%
With potassium hydroxide at 20℃; for 1h;	55%
With potassium hydroxide Ambient temperature;

: 613-87-6
(S)-1-phenyl-1-propanol

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

Conditions

Conditions	Yield
	10%

: 120-72-9
indole

: 74-88-4
methyl iodide

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

Conditions

Conditions	Yield
With methanol; sodium carbonate at 130℃;

: 95-20-5
2-methyl-1H-indole

: 67-56-1
methanol

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

Conditions

Conditions	Yield
With hydrogenchloride at 160℃;

: 95-20-5
2-methyl-1H-indole

: 74-88-4
methyl iodide

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

: 603-76-9
1-methylindole

: 74-88-4
methyl iodide

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

Conditions

Conditions	Yield
With potassium hydroxide at 40℃;
With methanol at 100℃;

: 83-34-1
3-Methylindole

: 74-88-4
methyl iodide

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

Conditions

Conditions	Yield
With methanol at 130℃;

: 91-55-4
2,3-dimethylindole

: 74-88-4
methyl iodide

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

Conditions

Conditions	Yield
at 100℃;
With methanol at 100℃;

: 1640-39-7
2,3,3-trimethylindoleniune

: 74-88-4
methyl iodide

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

: 1971-46-6
1,2,3-trimethylindole

: 74-88-4
methyl iodide

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

Conditions

Conditions	Yield
at 100℃;

: 1805-65-8
2-tert-butylindole

: 74-88-4
methyl iodide

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

Conditions

Conditions	Yield
at 110℃;

: 15754-36-6
3-methyl-butan-2-one-(methyl-phenyl-hydrazone)

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

Conditions

Conditions	Yield
With ethanol; zinc(II) chloride Zersetzen der erhaltenen Zinkverbindung mit Kalilauge;

: 1640-39-7
2,3,3-trimethylindoleniune

: 64035-64-9
Trimethylsilylmethyl trifluoromethanesulfonate

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

Conditions

Conditions	Yield
Yield given. Multistep reaction;

: 1640-39-7
2,3,3-trimethylindoleniune

: 64035-64-9
Trimethylsilylmethyl trifluoromethanesulfonate

: 624-48-6
dimethyl cis-but-2-ene-1,4-dioate

A: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

: (1S,2R,9aS)-9,9,9a-Trimethyl-2,3,9,9a-tetrahydro-1H-pyrrolo[1,2-a]indole-1,2-dicarboxylic acid dimethyl ester

: (1R,2S,9aS)-9,9,9a-Trimethyl-2,3,9,9a-tetrahydro-1H-pyrrolo[1,2-a]indole-1,2-dicarboxylic acid dimethyl ester

Conditions

Conditions	Yield
Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts;

...Expand

: 1640-39-7
2,3,3-trimethylindoleniune

: 64035-64-9
Trimethylsilylmethyl trifluoromethanesulfonate

: 762-42-5
dimethyl acetylenedicarboxylate

A: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

B: 114676-05-0
dimethyl 9,9a-dihydro-9,9,9a-trimethyl-3H-pyrrolo<1,2a>indole-1,2-dicarboxylate

Conditions

Conditions	Yield
Yield given. Multistep reaction;

...Expand

: 1,3-Bis(1,3,3-trimethyl-2-indolinyl)-2-phospha-trimethinium-tetrafluoroborat

A: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

B: 13034-76-9
1,2,3,3-tetramethylindoline

C: 21654-46-6
1,2,3,3-tetramethyl-3H-indolium tetrafluoroborate

Conditions

Conditions	Yield
With water Product distribution; hydrolysis/protonation, also in chloroform (some weeks);

...Expand

: 74145-97-4
2-acetylmethylene-1,3,3-trimethylindoline

concentrated acids: concentrated acids

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

: 74-88-4
methyl iodide

N-methyl-indole: N-methyl-indole

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

Conditions

Conditions	Yield
With methanol at 130℃;

: 74-87-3
methylene chloride

: 115590-27-7
lithium 2,3,3-trimethylindolenide

A: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

B C-methylated product: C-methylated product

Conditions

Conditions	Yield
In tetrahydrofuran at 19℃; for 1h; Product distribution; further solvent;

...Expand

: 5418-63-3
1,2,3,3-tetramethyl-3H-indolium iodide

A: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

B: 1,3,3-trimethyl-2-dideuteriomethyleneindoline

C: C12H14(2)HN

Conditions

Conditions	Yield
With potassium deuteroxide; water-d2 at 20℃; Title compound not separated from byproducts.;	A 32 % Spectr. B 50 % Spectr. C 18 % Spectr.

...Expand

: 84-83-3, 85654-15-5
(2E)-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)acetaldehyde

A: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

B zinc dust: zinc dust

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 67 percent / hydroxylamine hydrochloride, pyridine / ethanol / 3 h / Heating 2: 100 percent / HCl / 6 h / Heating View Scheme

: 144598-22-1
1,3,3-trimethyl-2-methyleneiminohydroxindoline

A: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

B zinc dust: zinc dust

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: ammonia / 70 °C 2: 100 percent / HCl / 6 h / Heating View Scheme

: 39263-43-9
3,3-dimethyl-butan-2-one-phenylhydrazone

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: zinc chloride / 190 °C 2: 110 °C View Scheme

: 1640-39-7
2,3,3-trimethylindoleniune

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1,2-dichloro-ethane / 5 h / 20 °C / Reflux 2: sodium hydroxide / water; acetone View Scheme
Multi-step reaction with 2 steps 1: dichloromethane / 4 h / Reflux 2: sodium hydroxide / water View Scheme
Multi-step reaction with 2 steps 1: diethyl ether; hexane 2: sodium hydroxide / diethyl ether View Scheme

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

: 13034-76-9
1,2,3,3-tetramethylindoline

Conditions

Conditions	Yield
With [P(H)t-Bu2][B(C6F5)4]; 1,3-diisopropylimidazol-2-ylidene-9-borabicyclo[3.3.1]nonane; hydrogen In chlorobenzene at 100℃; under 77525.2 Torr; for 4h; Time; Temperature; Reagent/catalyst; Glovebox;	100%
With 2C2H3O2(1-)Pd(2+)3Na(1+)*C18H12O9PS3(3-); hydrogen; glycerol at 100℃; under 2250.23 Torr; for 2h; Schlenk technique;	96%
With [1,3-diisopropylimidazol-2-ylidene-9-borabicyclo[3.3.1]nonane][tetrakis (pentafluorophenyl)borate]; hydrogen In chlorobenzene at 20℃; under 77525.2 Torr; for 4h; Solvent; Inert atmosphere;	94%

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

: 100-10-7
4-dimethylamino-benzaldehyde

: 2-[(E)-2-(4-Dimethylamino-phenyl)-vinyl]-1,3,3-trimethyl-3H-indolium; dihydrogen phosphate

Conditions

Conditions	Yield
With phosphoric acid In water; isopropyl alcohol for 6h; Heating;	100%

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

: 84501-28-0
2-hydroxy-5-t-butylisophthalaldehyde

: 1370284-34-6
6-(tert-butyl)-1′,3′,3′-trimethylspiro[chromene-2,2′-indoline]-8-carbaldehyde

Conditions

Conditions	Yield
In ethanol Reflux;	99%
In ethanol at 85℃; for 12h;	80%

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

: 24677-78-9
2,3-dihydroxybenzaldehyde

: 23022-12-0
spiro[2H-1-benzopyran-2,2’-(8-hydroxy-1’,3’,3’-trimethylindoline)]

Conditions

Conditions	Yield
In neat (no solvent) for 0.166667h; Microwave irradiation; Green chemistry;	99%

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

: C4H7F3N(1+)*BF4(1-)

: 1,1-difluoro-3-(1,3,3-trimethylindolin-2-ylidene)propan-2-one

Conditions

Conditions	Yield
In acetonitrile at 20℃; for 0.5h; Inert atmosphere; Schlenk technique;	99%

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

: 15568-86-2
5-(ethoxymethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione

: 2,2-Dimethyl-5-{2-[1,3,3-trimethyl-1,3-dihydro-indol-(2E)-ylidene]-ethylidene}-[1,3]dioxane-4,6-dione

Conditions

Conditions	Yield
In toluene 1.) 60 deg C, 20 min, 2.) r.t., 2 h;	98%

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

: 104-94-9
4-methoxy-aniline

: 40842-68-0
2,3-Dihydro-1,3,3-trimethylindol-2-ylidenmethanaza(4'-methoxybenzol)

Conditions

Conditions	Yield
With carbon dioxide; sodium nitrite In water at 35 - 40℃; under 37503 Torr; for 3h;	98%

: 845958-95-4
N-(2-iodo-phenyl)-4-methyl-N-(3-phenyl-propynoyl)-benzenesulfonamide

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

: 536-74-3
phenylacetylene

: (E)-3-((2Z,4Z)-1,3-diphenyl-4-(1,3,3-trimethylindolin-2-ylidene)but-2-en-1-ylidene)-1-tosylindolin-2-one

Conditions

Conditions	Yield
Stage #1: N-(2-iodo-phenyl)-4-methyl-N-(3-phenyl-propynoyl)-benzenesulfonamide; phenylacetylene With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 20℃; for 16h; Inert atmosphere; Stage #2: 1,3,3-Trimethyl-2-methyleneindoline With N-ethyl-N,N-diisopropylamine In tetrahydrofuran; ethanol at 80℃; for 48h; Inert atmosphere; Sealed tube; diastereoselective reaction;	98%

Yield

Stage #1: N-(2-iodo-phenyl)-4-methyl-N-(3-phenyl-propynoyl)-benzenesulfonamide; phenylacetylene With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 20℃; for 16h; Inert atmosphere;
Stage #2: 1,3,3-Trimethyl-2-methyleneindoline With N-ethyl-N,N-diisopropylamine In tetrahydrofuran; ethanol at 80℃; for 48h; Inert atmosphere; Sealed tube; diastereoselective reaction;

98%

...Expand

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

: 119-67-5
o-carboxybenzaldehyde

: 84548-42-5
3-[(1,3,3-trimethylindolin-2-ylidene)methyl]isobenzofuran-1(3H)-one

Conditions

Conditions	Yield
for 0.0833333h; Microwave irradiation; Green chemistry;	98%

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

: 90-02-8
salicylaldehyde

: 1485-92-3
1',3',3'-trimethylspiro(2H-1-benzopyran-2,2'-indoline)

Conditions

Conditions	Yield
In ethanol for 5h; Reflux;	97%
In neat (no solvent) for 0.166667h; Microwave irradiation; Green chemistry;	93%
In isopropyl alcohol Inert atmosphere; Reflux;	90%

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

: 624-90-8, 1516-70-7
Methanesulfonyl azide

: 143268-71-7
2,3-Dihydro-1,3,3-trimethyl-2-<(methylsulfonyl)imino>-1H-indol

Conditions

Conditions	Yield
In toluene 1) 0 to 5 deg C, 1 h, 2) 20 deg C, 1 h;	97%
In (2)H8-toluene at 0℃;

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

: 111222-84-5
1,3-Bis(trifluoromethylsulfonyl)-5-nitro-2,4,6-trichlorobenzene

: 115848-44-7
1,3,3-Trimethyl-2-<2',6'-bis(trifluoromethylsulfonyl)-3',5'-dichloro-4'-nitrophenylmethylene>-2H-indole

Conditions

Conditions	Yield
With triethylamine In acetonitrile; benzene at 20℃; for 15h;	97%

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

: 128814-41-5
sodium 1,3,3-trimethyl-2-methyleneindoline-5-sulfonate

Conditions

Conditions	Yield
With sulfuric acid; sulfur trioxide; sodium carbonate	97%

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

: 3328-70-9
5-formyl-2-hydroxybenzaldehyde

: 20200-69-5
6-formyl-1',3',3'-trimethylspiro<2H-1-benzopyran-2,2'-<1H>-indole>

Conditions

Conditions	Yield
In ethanol Addition; Heating;	97%
In ethanol for 14.5h;	80%
In ethanol Heating;	75%
In ethanol for 5h; Heating;

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

: 1194-98-5
2,5-Dihydroxybenzaldehyde

: 23001-29-8
6-hydroxy spiropyran

Conditions

Conditions	Yield
In neat (no solvent) for 0.166667h; Microwave irradiation; Green chemistry;	97%
In ethanol Addition; Heating;	90%
In ethanol for 2h; Inert atmosphere; Reflux;	84.8%

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

: 5-sulfonic acid 1,3,3-trimethyl-2-methyleneindoline

Conditions

Conditions	Yield
With sulfuric acid at 0 - 5℃; for 5h;	97%

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

: 684-16-2
Hexafluoroacetone

: 127870-87-5, 127870-89-7
1,3,3-trimethyl-2-<2-hydroxy-2-(trifluoromethyl)-3,3,3-trifluoropropylidene>indoline

Conditions

Conditions	Yield
In hexane at 0℃; Product distribution; other perfluorinated carbonyl compounds;	96%
In hexane at 0℃;	96%

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

: 219560-21-1
4,4'-dihydroxybenzophenone-3-carboxaldehyde

: C26H23NO3

Conditions

Conditions	Yield
In methanol at 50℃;	96%

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

: 76372-77-5
bis<(1,3,3-trimethyl-2-indolinylidene)methyl>phosphinous chloride

Conditions

Conditions	Yield
With triethylamine; phosphorus trichloride In chloroform; benzene for 6h; Heating;	94.7%

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

: 762-04-9
phosphonic acid diethyl ester

: 109350-75-6
2-diethoxyphosphonyl-1,2,3,3-tetramethylindoline

Conditions

Conditions	Yield
for 48h; Ambient temperature;	94%

: 381732-60-1
5,5'-thiobis(3-nitrosalicylaldehyde)

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

: C38H34N4O6S

Conditions

Conditions	Yield
	94%

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

: 5-mesyl-2-phenyl-4-tosyloxazole

: 4-[(4-methylphenyl)sulfonyl]-5-[(1,3,3-trimethylindolin-2-ylidene)methyl]-2-phenyl-1,3-oxazole

Conditions

Conditions	Yield
In ethanol for 5h; Reflux;	94%

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

: 21654-46-6
1,2,3,3-tetramethyl-3H-indolium tetrafluoroborate

Conditions

Conditions	Yield
With tetrafluoroboric acid In ethanol 1) 10 min, 20 deg C, 2) 15 min, ice-cooled;	93%

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

: 219774-63-7
C7H10N2O4

: 2,2',3,3'-tetrahydro-1,3,3,5'-tetramethyl-4'-methoxycarbonyl-1'-(methoxycarbonylamino)spiro[1H-indole-2,2'-pyrrole]

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 2h;	93%

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

: 1449790-53-7
3,3'-[naphthalene-1,5-diylidi(E)diazene-2,1-diyl]bis(4,4'-diethylamino-6-hydroxy benzaldehyde)

: 1449790-58-2
3,3'-[naphthalene-1,5-diylidi(E)diazene-2,1-diyl]bis(4,4'-diethylamino-6-hydroxy benzaldehyde)

Conditions

Conditions	Yield
In chloroform for 2h; Reflux;	93%

: 118-12-7
1,3,3-Trimethyl-2-methyleneindoline

: 868-85-9
Dimethyl phosphite

: 2-dimethoxyphosphonyl-1,2,3,3-tetramethylindoline

Conditions

Conditions	Yield
Ambient temperature;	92%

1,3,3-Trimethyl-2-methyleneindoline Consensus Reports

Reported in EPA TSCA Inventory.

1,3,3-Trimethyl-2-methyleneindoline Specification

The 1H-Indole,2,3-dihydro-1,3,3-trimethyl-2-methylene-, with the CAS registry number 118-12-7, is also known as 1,3-Dihydro-1,3,3-trimethyl-2-methyleneindoline. It belongs to the product categories of Intermediates of Dyes and Pigments; Indole. Its EINECS number is 204-235-1. This chemical's molecular formula is C₁₂H₁₅N and molecular weight is 173.25. What's more, its systematic name is 1,3,3-trimethyl-2-methylidene-2,3-dihydro-1H-indole. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from oxides, heat and fire. It is mainly used as a cationic dye intermediates.

Physical properties of 1H-Indole,2,3-dihydro-1,3,3-trimethyl-2-methylene- are: (1)ACD/LogP: 3.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.15; (4)ACD/BCF (pH 7.4): 145.97; (5)ACD/KOC (pH 5.5): 1231.9; (6)ACD/KOC (pH 7.4): 1232.49; (7)#H bond acceptors: 1; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 3.24 Å²; (11)Index of Refraction: 1.565; (12)Molar Refractivity: 55.9 cm³; (13)Molar Volume: 171.6 cm³; (14)Polarizability: 22.16×10^-24cm³; (15)Surface Tension: 36.1 dyne/cm; (16)Density: 1 g/cm³; (17)Flash Point: 101.7 °C; (18)Enthalpy of Vaporization: 48.52 kJ/mol; (19)Boiling Point: 248 °C at 760 mmHg; (20)Vapour Pressure: 0.0249 mmHg at 25°C.

Preparation: first reactions of condensation and closed-loop between phenylhydrazine and methyl ethyl ketone are conducted, then methylating with toluenesulfonic acid methyl ester, finally neutralizing with ammonia water.

Uses of 1H-Indole,2,3-dihydro-1,3,3-trimethyl-2-methylene-: it can be used to produce (1,3,3-trimethyl-indolin-2-yliden)-acetone at the temperature of 40 °C. It will need reagent triethylamine and solvent benzene with the reaction time of 2 hours. The yield is about 80%.

1H-Indole,2,3-dihydro-1,3,3-trimethyl-2-methylene- can be used to produce (1,3,3-trimethyl-indolin-2-yliden)-acetone at the temperature of 40 °C

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and is irritating to skin. It is very toxic to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. After contact with skin, you must wash immediately with plenty of ... (to be specified by the manufacturer). When using it, you need wear suitable gloves. This material and its container must be disposed of as hazardous waste. You should avoid releasing it to the environment just refering to special instructions/safety data sheet. Moreover, you need use appropriate containment to avoid environmental contamination.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cccc2c1C(C(=C)\N2C)(C)C
(2)Std. InChI: InChI=1S/C12H15N/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4/h5-8H,1H2,2-4H3
(3)Std. InChIKey: ZTUKGBOUHWYFGC-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	56mg/kg (56mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07782.

Product Name

1,3,3-Trimethyl-2-methyleneindoline

Synthetic route

1,3,3-Trimethyl-2-methyleneindoline Consensus Reports

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