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Home > Encyclopedia > 1-BROMO-2-(2,2-DIETHOXY-ETHYLSULFANYL)-BENZENE

1-BROMO-2-(2,2-DIETHOXY-ETHYLSULFANYL)-BENZENE

1-BROMO-2-(2,2-DIETHOXY-ETHYLSULFANYL)-BENZENE structure

1-BROMO-2-(2,2-DIETHOXY-ETHYLSULFANYL)-BENZENE 

structure
  • CAS No:

    137105-52-3

  • Formula:

    C12H17BrO2S

  • Chemical Name:

    1-BROMO-2-(2,2-DIETHOXY-ETHYLSULFANYL)-BENZENE

  • Synonyms:

    (2-Bromophenyl)(2,2-diethoxyethyl)sulfane;1-Bromo-2-(2,2-diethoxy-ethylsulfanyl)-benzene;1-Bromo-2-(2,2-diethoxyethylsulfanyl)benzene;1-Bromo-2-[(2,2-diethoxyethyl)sulfanyl]benzene;2-(2-bromophenylthio) acetaldehyde diethyl acetal;SCHEMBL7479177;CTK4C0651;KS-00000RBL;DTXSID00476428;ZINC8700424

1-BROMO-2-(2,2-DIETHOXY-ETHYLSULFANYL)-BENZENE Basic Attributes

305.23

304.01300

DTXSID00476428

2930909090

Characteristics

43.8

3.7

336.5°C at 760 mmHg

1-BROMO-2-(2,2-DIETHOXY-ETHYLSULFANYL)-BENZENE Use and Manufacturing

To a suspension of KPreparation of 2-(2-Bromophenylthio)acetaldehyde Diethyl Acetal Preparation of 2-(2-Bromophenylthio)acetaldehyde Diethyl Acetal SchemeI, To a stirred suspension of K2CO3 (9.56 g, 69.17 mmoi) in acetone (40 mL) was added 2- bromothiophenol (10.0 g, 53.21 mmoi) at 0 °C and stirred the reaction mixture at same temperature for 20-3 0 mm. then added bromoacetaidehyde diethylacetal (11.5 g, 58.33 mmoi) drop-wise and stirred the reaction mass at 25 °C for 18 h. The reaction was monitor by tic and after compietion of reaction voiatiies were remove under reduce pressure to get concentrated mass which was diiuted with water, extracted with ethyi acetate (3 x 150 mL), combined organic iayers were washed with water then brine, dried over anhydrous sodium suifate, concentrated under reduced pressure to give crude mass which was purified by coiumn chromatography on siiica gei using 5percent ethyi acetate/hexane mixture as eiuent to afford (2-bromophenyi)(2, 2-diethoxyethyi)suifane (15.6 g) as paie yeiiow oii. ‘H-NMR (400 MHz, CDCi3): ö 7.49 (d, J 7.8 Hz, 1H), 7.32 (d, J 7.8 Hz, 1H), 7.21 (t, J= 7.6 Hz, 1H), 6.98 (t, J= 7.6 Hz, 1H), 4.67 (t, J= 5.5 Hz, 1H), 3.65 (q, J 6.9 Hz, 2H), 3.52 (q, J= 6.8 Hz, 2H), 3.12 (d, J 6.0 Hz, 2H), 1.17 (t, J 6.9 Hz, 6H).

Computed Properties

Molecular Weight:305.23
XLogP3:3.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:304.01326
Monoisotopic Mass:304.01326
Topological Polar Surface Area:43.8
Heavy Atom Count:16
Complexity:174
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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