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Home > Encyclopedia > 4-Fluoro-N-(1-methylethyl)benzenamine

4-Fluoro-N-(1-methylethyl)benzenamine

4-Fluoro-N-(1-methylethyl)benzenamine structure

4-Fluoro-N-(1-methylethyl)benzenamine 

structure
  • CAS No:

    70441-63-3

  • Formula:

    C9H12FN

  • Chemical Name:

    4-Fluoro-N-(1-methylethyl)benzenamine

  • Synonyms:

    Benzenamine,4-fluoro-N-(1-methylethyl)-;4-Fluoro-N-(1-methylethyl)benzenamine;4-Fluoro-N-isopropylaniline;N-Isopropyl-4-fluoroaniline;N-(4-Fluorophenyl)isopropylamine;N-(4-Fluorophenyl)-N-isopropylamine

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

4-Fluoro-N-(1-methylethyl)benzenamine Basic Attributes

153.2

153.20

448-100-7

DTXSID6074675

2921420090

Characteristics

12

2.8

1.0±0.1 g/cm3

213.9°C at 760 mmHg

83.1±22.6 °C

1.528

Safety Information

III

6.1(b)

UN 2810

P201, P202, P261, P264, P270, P271, P272, P273, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P308+P313, P312, P321, P330, P332+P313, P333+P313, P362, P363, P391, P403+P233, P405, P501

H302

|Danger|H301 (75%): Toxic if swallowed [Danger Acute toxicity, oral]|P201, P202, P260, P261, P264, P270, P271, P272, P273, P280, P281, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P308+P313, P311, P312, P314, P321, P330, P332+P313, P333+P313, P362, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P312, P321, P330, P332+P313, P333+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

4-Fluoro-N-(1-methylethyl)benzenamine Use and Manufacturing

Methods of Manufacturing

4 - fluoronitrobenzene 10kg (70 52mol.), 2, 2 -. Dimethoxypropane 7 · 42kg (. 70 52mol), l 74kg p-toluenesulfonic acid, 871 g of platinum on carbon (content 3percent) and 18kg 50L toluene were charged into an autoclave, stirred, temperature to 70-80 ° C, the hydrogen pressure maintained at 5 -20bar, until the pressure is constant, about 4 hours of reaction, the reaction mixture was cooled and filtered to remove the catalyst. 3kg washing water was added, points to the water layer, the organic phase was stripped of toluene to give 10. 76 kg N - isopropyl-4 - fluoroaniline, yield 98percent.4 mol of 4-fluoronitrobenzene, 2 mol of acetone, and Raney nickel catalyst were placed in an autoclave and the temperature was raised to 60 degrees. Into the hydrogen, the pressure is maintained at 0.7MPA until the pressure is constant, cooling to 30 degrees, filtering the catalyst, Take the organic phase to remove water to give N-isopropyl-4-fluoroaniline; (1H-NMR shows 4 hydrogens on δ 7.04 benzene ring, hydrogen chemical signal on δ 4.96 tertiary carbon CH-, δ 1.04 is 6 hydrogen signals on two methyl groups); yield (93percent, Purity 94percent).4-Fluoro-N-isopropylaniline A mixture of 4-fluoro-aniline (1 .12 g; 10 mmol), 2-bromopropane (1 .13 ml) and K

Uses

4-Fluoro-N-isopropylaniline is an intermediate used in the synthesis of Flufenacet, a herbicide.

Computed Properties

Molecular Weight:153.20
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:153.095377549
Monoisotopic Mass:153.095377549
Topological Polar Surface Area:12
Heavy Atom Count:11
Complexity:106
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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