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Home > Encyclopedia > 2-Chloro-3-methoxyaniline

2-Chloro-3-methoxyaniline

2-Chloro-3-methoxyaniline structure

2-Chloro-3-methoxyaniline 

structure
  • CAS No:

    113206-03-4

  • Formula:

    C7H8ClNO

  • Chemical Name:

    2-Chloro-3-methoxyaniline

  • Synonyms:

    Benzenamine, 2-chloro-3-methoxy-;2-Chloro-3-methoxybenzenamine;(2-Chloro-3-methoxyphenyl)amine;2-Chloro-3-methoxyaniline;2-chloro-3-methoxyl-aniline;1,3-ADAMANTANEDIMETHANOL,ALPHA,ALPHA,ALPHA'',ALPHA''-TETRAMETHYL-(6CI);2-chloro-3-Methoxy-;3-AMino-2-chloroanisole[2-Chloro-3-Methoxyaniline]

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

2-Chloro-3-methoxyaniline Basic Attributes

157.6

157.029449

DTXSID30626318

2922299090

Characteristics

35.2

1.8

Kind of white to yellow powder

1.234±0.06 g/cm3(Predicted)

50 °C

125 °C(Press: 3 Torr)

106.2±21.8 °C

1.573

0.00191mmHg at 25°C

2-Chloro-3-methoxyaniline Use and Manufacturing

2-Chloro-3-nitroanisole C3 (1.38 g; 7.36 MMOL) was dissolved in a mixture of glacial acetic acid (19 ML)/ETHANOI (19 mL). To this solution was added iron powder (1.64 g; 29.4 MMOL). The mixture was stirred at reflux for 3.5 hr and worked up. The reaction mixture was diluted with water (70 mL), neutralized with solid NA2CO3 and the product extracted with CH2CI2 (3X 150 mL). The extracts were combined and washed with saturated. brine and then dried over (NA2SO4), filtered and concentrated in vacuo to afford the crude product, 2-chloro-3-methoxyaniline C4 (100percent; 1.2 g) as a yellow oil. This material was used as such in the following steps. MS 157.9 (MH) + ; Homogeneity by HPLC (TFA) 220 nm: 86percent.Step C:; 2-Chloro-3-nitroanisole 1c2 (1.38 g; 7.36 mmol) was dissolved in a mixture ofglacial acetic acid (19 mL)/ethanol (19 mL). To this solution was added iron powder(1.64 g; 29.4 mmol). The mixture was stirred at reflux for 3.5 hr and worked up. Thereaction mixture was diluted with water (70 ml_), neutralized with solid Na2-Chloro-3-nitroanisole 1c2 (1.38 g; 7.36 mmol) was dissolved in a mixture of glacial acetic acid (19 mL)/ethanol (19 mL). 2-Chloro-3-nitroanisole 2c2 (1.38 g; 7.36 mmol) was dissolved in a mixtureof glacial acetic acid (19 ml_ )/ethanol (19 ml_). To this solution was added ironpowder (1.64 g; 29.4 mmol). The mixture was stirred at reflux for 3.5 hr and workedup. The reaction mixture was diluted with water (70 ml), neutralized with solidNa

Computed Properties

Molecular Weight:157.60
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:157.0294416
Monoisotopic Mass:157.0294416
Topological Polar Surface Area:35.2
Heavy Atom Count:10
Complexity:110
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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