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4-Aminoindole

4-Aminoindole structure

CAS No:
5192-23-4
Formula:
C8H8N2
Chemical Name:
4-Aminoindole
Synonyms:
4-INDOLAMINE;4-Aminoindole;INDOLE-4-AMINE;1H-INDOL-4-AMINE;4-AMINO-1H-INDOLE;(Indol-4-yl)amine;4-AMinoindole97%;1H-INDOL-4-YLAMINE;4-Aminoindole,97%;4-AMinoindole,97%500MG
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Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Greenish-grey to tan powder

4-Aminoindole Basic Attributes

Molecular Weight：

132.16

Exact Mass：

132.068741

BRN：

114919

EC Number：

-0

DSSTox ID：

DTXSID50342629

HScode：

29339990

Characteristics

PSA：

41.8

XLogP3：

2.1

Appearance：

greenish-grey to tan powder

Density：

1.3±0.1 g/cm3

Melting Point：

106-109 °C(lit.)

Boiling Point：

354ºC at 760 mmHg

Flash Point：

195.0±7.6 °C

Refractive Index：

1.758

Water Solubility：

H2O: Insoluble

Storage Conditions：

−20°C

Safety Information

Hazard category：

AIR SENSITIVE, IRRITANT-HARMFUL, KEEP COLD

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-24/25

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H302 (19.15%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Aminoindole Use and Manufacturing

Methods of Manufacturing

General procedure: Method A. Nitrocompound (1 mmol) was dissolve in a 0.1 M mixture of IPA: H2O(4:1) and iron powder (Fe, 3 mmol), ammonium chloride (NH4Cl, 2 mmol) were added and refluxed for two hours. After cooling down to room temperature reaction mixture was filtered through celite, extracted with EtOAc (25 mL x 3). The combined organic layer was dried over anhydrous MgSO4 and concentrated under reduced pressure and purified by column chromatography.A.

Uses

Reactant for preparation of:• ;Inhibitors of bacterial thymidylate synthase1• ;Mimetics of non-alkaloid toxin lignan anticancer and antiviral agent Podophyllotoxin (PPT)2• ;Inhibitors of Gli1-mediated transcription in the Hedgehog pathway3• ;Protein kinase C θ (PKCθ) inhibitors4• ;Indolic non-peptidic HIV protease inhibitors5• ;Transient receptor potential cation channel subfamily V member 1 (TRPV1) antagonists6• ;Cyclooxygenase-2 (COX-2) and lipoxygenase (LOX) inhibitors7• ;11β-hydroxysteroid dehydrogenase 1 (11β-HSD1) inhibi

Computed Properties

Molecular Weight:132.16
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Exact Mass:132.068748264
Monoisotopic Mass:132.068748264
Topological Polar Surface Area:41.8
Heavy Atom Count:10
Complexity:124
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-Aminoindole

CAS No.: 5192-23-4

Grade: industrial Grade

Content: 98%

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