[ CAS No. 773-63-7 ]

Name: 2,3,3-Trimethyl-3H-indol-5-amine
Brand: Ambeed
SKU: A144966
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Structure of 773-63-7 *Storage: {[proInfo.prStorage]}

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Quality Control of [ 773-63-7 ]

COA NMR CNMR HPLC LC-MS

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SDS

Product Details of [ 773-63-7 ]

CAS No. :	773-63-7	MDL No. :	MFCD00614246
Formula :	C₁₁H₁₄N₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	N/A
M.W :	174.24	Pubchem ID :	594548
Synonyms :

Computed Properties of [ 773-63-7 ]

TPSA :Topological Polar Surface Area	38.4	H-Bond Acceptor Count :	2
XLogP3 :	1.6	H-Bond Donor Count :	1
SP3 :	0.36	Rotatable Bond Count :	0

Safety of [ 773-63-7 ]

Signal Word:	Warning	Class	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 773-63-7 ]

Upstream synthesis route of [ 773-63-7 ]
Downstream synthetic route of [ 773-63-7 ]

[ 773-63-7 ] Synthesis Path-Upstream 1~3

1
[ 3484-22-8 ]
[ 773-63-7 ]

Yield	Reaction Conditions	Operation in experiment
96%	Stage #1: With hydrogenchloride; tin(II) chloride dihdyrate In water for 2.00 h; Reflux Stage #2: With sodium hydrogencarbonate In water	Example 2 5-amino-2,3,3-trimethyl-(3H)-indole (product B) A mixture of 6.6 g of product A, 43.7 g of stannous chloride dihydrate and 215 ml of hydrochloric acid is taken to reflux for two hours. After cooling down to ambient temperature and filtration, the solid collected is solubilized in 130 ml of water. This solution is neutralized by the addition of 20percent soda. The precipitate formed is filtered then washed with water and dried under vacuum in the presence of phosphoric anhydride. 5.4 g of product B is obtained (Yield: 96percent).

Reference： [1] Patent: US2012/45851, 2012, A1. Location in patent: Page/Page column 14; 18
[2] Organic and Biomolecular Chemistry, 2012, vol. 10, # 4, p. 710 - 715
[3] Chemistry of Heterocyclic Compounds (New York, NY, United States), 1984, vol. 20, # 9, p. 976 - 977[4] Khimiya Geterotsiklicheskikh Soedinenii, 1984, vol. 20, # 9, p. 1198 - 1199
[5] Journal of Physical Chemistry, 1985, vol. 89, # 18, p. 3941 - 3946

2
[ 60-29-7 ]
[ 3484-22-8 ]
[ 773-63-7 ]

Reference： [1] Patent: US2011/230664, 2011, A1

3
[ 1640-39-7 ]
[ 773-63-7 ]

Reference： [1] Patent: US2012/45851, 2012, A1

[ 773-63-7 ] Synthesis Path-Downstream 1~10

1
[ 2233-18-3 ]
[ 773-63-7 ]
(E)-4-(2-(5-amino-3,3-dimethyl-3H-indol-2-yl)vinyl)-2,6-dimethylphenol [ No CAS ]

Reference： [1]Chemical Communications,2019,vol. 55,p. 10424 - 10427

2
3,5-dimethyl-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazole-4-carbaldehyde [ No CAS ]
[ 773-63-7 ]
(E)-2-(2-(3,5-dimethyl-1H-pyrazol-4-yl)vinyl)-3,3-dimethyl-3H-indol-5-amine [ No CAS ]

Reference： [1]Chemical Communications,2019,vol. 55,p. 10424 - 10427

3
3,5-dimethyl-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazole-4-carbaldehyde [ No CAS ]
[ 773-63-7 ]
(E)-2-(2-(3,5-dimethyl-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazol-4-yl)vinyl)-3,3-dimethyl-3H-indol-5-amine [ No CAS ]

Reference： [1]Chemical Communications,2019,vol. 55,p. 10424 - 10427

4
[ 773-63-7 ]
[ 2892-51-5 ]
2-[5-Amino-3,3-dimethyl-1,3-dihydro-indol-(2E)-ylidenemethyl]-4-[1-(5-amino-3,3-dimethyl-3H-indol-2-yl)-meth-(Z)-ylidene]-3-hydroxy-cyclobut-2-enone [ No CAS ]

Reference： [1]Tetrahedron Letters,1999,vol. 40,p. 4067 - 4068

5
C₂₃H₂₅BF₂N₂O [ No CAS ]
[ 773-63-7 ]
C₃₄H₃₇BF₂N₄ [ No CAS ]

Reference： [1]Chemistry - A European Journal,2016,vol. 22,p. 15027 - 15034

6
C₂₃H₂₅BF₂N₂O [ No CAS ]
[ 773-63-7 ]
C₃₆H₃₉BF₂N₄O [ No CAS ]

Reference： [1]Chemistry - A European Journal,2016,vol. 22,p. 15027 - 15034

7
C₂₃H₂₅F₃N₂O₃S₂ [ No CAS ]
[ 773-63-7 ]
C₃₄H₃₇F₃N₄O₂S₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
0.53 g		First, a yellow dye A (1.0 mmol, 0.50 g) and chloroform (5 ml) were put in, and then, oxalyl chloride (1.1 mmol, 0.14 g) and dimethylformamide (0.1 ml) were added thereto in this order, and the resulting mixture was stirred at room temperature for 1 hour. After the mixture was cooled to 10 C., 5-aminoindolenine (1.0 mmol, 0.17 g) and triethylamine (2.0 mmol, 0.20 g) were added thereto, and the resulting mixture was stirred at room temperature for 2 hours. Oil-water separation was performed after addition of water (5 ml), and then, the resulting organic phase was purified by PLC (using a mobile phase solvent of chloroform/methanol (10:1)), and thus, 0.53 g of the objective indolenine A was obtained. In this way, an indolenine compound having an amide bond (or sulfonamide bond) was obtained by the corresponding amino compound and the corresponding carboxylic acid (or sulfonic acid) compound, and the following indolenine B to L were synthesized by the same process. Next, indolenine A (0.81 mmol, 0.53 g) and methyl para-toluenesulfonate (1.2 mmol, 0.22 g) were put in, and the resulting mixture was stirred at 100 C. for 2 hours. After the mixture was cooled to room temperature, the reaction solution was purified by PLC (using a mobile phase solvent of chloroform/methanol (10:1)), and thus, 0.19 g of the objective intermediate (a-1) was obtained.

Reference： [1]Patent: US9040722,2015,B2.Location in patent: Page/Page column 86 - 88

8
[ 773-63-7 ]
C₄₇H₅₆N₃O₁₁S₂^(1-)*Na⁽¹⁺⁾ [ No CAS ]

Reference： [1]Patent: US2012/45851,2012,A1

9
[ 773-63-7 ]
sodium 4-(6-((5-carboxypentyl)oxy)-2-(5-(1,1-dimethyl-3-(4-sulfonatobutyl)-1H-benzo[e]indol-3-ium-2-yl)penta-2,4-dien-1-ylidene)-3,3-dimethylindolin-1-yl)butane-1-sulfonate [ No CAS ]

Reference： [1]Patent: US2012/45851,2012,A1

10
[ 1640-39-7 ]
[ 773-63-7 ]

Reference： [1]Patent: US2012/45851,2012,A1
[2]Chemical Communications,2019,vol. 55,p. 10424 - 10427

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[ 773-63-7 ]

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P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
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P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
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Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
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H242	Heating may cause a fire
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H311	Toxic in contact with skin
H312	Harmful in contact with skin
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H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
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H361d	Suspected of damaging the unborn child
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H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 773-63-7 ]

Quality Control of [ 773-63-7 ]

Related Doc. of [ 773-63-7 ]

Product Details of [ 773-63-7 ]

Computed Properties of [ 773-63-7 ]

Safety of [ 773-63-7 ]

Application In Synthesis of [ 773-63-7 ]

[ 773-63-7 ] Synthesis Path-Upstream 1~3

[ 773-63-7 ] Synthesis Path-Downstream 1~10

Related Functional Groups of [ 773-63-7 ]

Amines

Related Parent Nucleus of [ 773-63-7 ]

Indoles

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

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[ 773-63-7 ]

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[ 773-63-7 ]