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7-Fluoro-1H-indole

7-Fluoro-1H-indole structure

CAS No:
387-44-0
Formula:
C8H6FN
Chemical Name:
7-Fluoro-1H-indole
Synonyms:
1H-Indole,7-fluoro-;Indole,7-fluoro-;7-Fluoro-1H-indole;7-Fluoroindole
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Brown solid

7-Fluoro-1H-indole Basic Attributes

Molecular Weight：

135.14

Exact Mass：

135.14

DSSTox ID：

DTXSID60379062

HScode：

2933990090

Characteristics

PSA：

15.8

XLogP3：

2.9

Density：

1.3±0.1 g/cm3

Melting Point：

61-62 °C

Boiling Point：

258°C at 760 mmHg

Flash Point：

109.9±19.8 °C

Refractive Index：

1.646

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36

Marks：

Xi: Irritant;

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H315-H318-H335

GHS Classification：

|Danger|H302 (61.9%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 63 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

7-Fluoro-1H-indole Use and Manufacturing

Under nitrogen protection, 4 g (0.024 mol) of 7-fluoro isatinAnd 3.52 g (0.093 mol) of sodium borohydride were put into a dry four-necked flask, Cooled to -10 ° C or less, Stirring, To this, 40 mL of dry tetrahydrofuran was slowly added dropwiseAnd 7.6 g (0.054 mol) of borontrifluoride etherate, The whole process control temperature does not exceed -5 , Reaction overnight, Reaction completed, A solution of 6.6 g of sodium hydrogen sulfate and 70 mL of water was slowly added dropwise to the solution, Steam distillation mixture, The distillate was extracted with ethyl acetate, Dried over anhydrous magnesium sulfate, The solvent was distilled off, To give 2.58 g of white needles (yield 78.8percent).This embodiment provides a quinone compound, and its reaction formula is:In a reaction flask, 5 mmol and 6 mmol of 2-fluoroaniline provided in Example 6 were weighed out, dissolved in 200 ml of acetonitrile, Cu/molecular sieve loaded catalyst was added, and TLC was used to detect N-hydroxyl ethylamine. The reaction was stopped after the 2-methylaniline reaction was complete. After isolation and purification, 7-fluoroindole was obtained (yield 59.4percent).

Computed Properties

Molecular Weight:135.14
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:135.048427358
Monoisotopic Mass:135.048427358
Topological Polar Surface Area:15.8
Heavy Atom Count:10
Complexity:126
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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