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2,5-Dimethylindole

2,5-Dimethylindole structure

CAS No:
1196-79-8
Formula:
C10H11N
Chemical Name:
2,5-Dimethylindole
Synonyms:
1H-Indole,2,5-dimethyl-;Indole,2,5-dimethyl-;2,5-Dimethyl-1H-indole;2,5-Dimethylindole
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Off-white to pale pink or light brown solid2, 5-Dimethylindole is a kind of carbazole-system derived indole compound, which is valuable in the manufacturing of perfume. It is also a useful chemical intermediate. It is usually used as reactant in the following reaction: stereoselective synthesis of indolines via palladium-catalyzed asymmetric hydrogenation of unprotected indoles; stereoselective preparation of substituted indoles via rhodium-catalyzed enantioselective coupling reaction of indole

2,5-Dimethylindole Basic Attributes

Molecular Weight：

145.20100

Exact Mass：

145.20

EC Number：

214-816-1

UNII：

ETU94V283M

DSSTox ID：

DTXSID30152521

HScode：

2933990090

Characteristics

PSA：

15.79000

XLogP3：

2.9

Appearance：

Yellow crystals

Density：

1.08g/cm3

Melting Point：

115.3 °C

Boiling Point：

105 °C @ Press: 0.3 Torr

Flash Point：

119.7ºC

Refractive Index：

1.635

Storage Conditions：

Keep tightly closed. Store in a cool dry place.

Vapor Pressure：

0.00603mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

37/38-41

safety instructions：

26-39

Marks：

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H315-H318-H335

GHS Classification：

|Danger|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 42 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2,5-Dimethylindole Use and Manufacturing

3f (0.5mmol, 97 mg), zinc powder (3.0mmol, 196 mg), acetic acid (6.0mmol, 360 mg) put into the 25 ml in the reaction tube, and adding ethanol to 2 ml, 90 °C is stirred under the condition 3h. After cooling to room temperature the temperature of the reaction system by adding 20 ml water, add 25 ml ethyl acetate extraction, grass-roots takes has saturated salt water for washing, for Na

Computed Properties

Molecular Weight:145.20
XLogP3:2.9
Hydrogen Bond Donor Count:1
Exact Mass:145.089149355
Monoisotopic Mass:145.089149355
Topological Polar Surface Area:15.8
Heavy Atom Count:11
Complexity:144
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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