[ CAS No. 29705-38-2 ]

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Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 29705-38-2
Chemical Structure| 29705-38-2
Structure of 29705-38-2

Quality Control of [ 29705-38-2 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 29705-38-2 ]

SDS

Product Details of [ 29705-38-2 ]

CAS No. :29705-38-2MDL No. :MFCD07787555
Formula :C10H13FN2O4Boiling Point :454.6°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :244.22Pubchem ID :-
Synonyms :

Computed Properties of [ 29705-38-2 ]

TPSA : 89.5 H-Bond Acceptor Count : 6
XLogP3 : 0.6 H-Bond Donor Count : 2
SP3 : 0.40 Rotatable Bond Count : 5

Safety of [ 29705-38-2 ]

Signal Word:WarningClassN/A
Precautionary Statements:P280-P305+P351+P338UN#:N/A
Hazard Statements:H302Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 29705-38-2 ]

  • Downstream synthetic route of [ 29705-38-2 ]

[ 29705-38-2 ] Synthesis Path-Downstream   1~10

YieldReaction ConditionsOperation in experiment
(B) 4-fluoro-3-nitro-N,N,-bis(2-hydroxyethyl)-aminobenzene Yield: red crystals, melting point approx. 70 C. (with decomposition)
  • 3
  • [ 29705-38-2 ]
  • [ 74-89-5 ]
  • [ 2784-94-3 ]
YieldReaction ConditionsOperation in experiment
In water; at 70.0℃; for 4.5h; A 5 ml round-bottomed vial equipped with a magnetic stirring bar and a stopper was charged with the compound of formula (12) (244 mg) and 0.437 ml of 39.5 weight % aqueous solution of methylamine. The mixture was stirred at 70C for 4.5 hours and cooled to room temperature. The mixture was diluted with 5 ml of ethanol and transferred into a 25 ml pressure reactor equipped with a magnetic stirring bar. The reactor was charged with 136 mg of Pd/C catalyst (3.9 %), flushed with nitrogen, and pressurized with hydrogen to 60 psi. The mixture was stirred at 23C at 50-60 psi of hydrogen for 2 hours. The reactor was flushed with nitrogen and charged, under stirring, with 357 mg of glutaric acid anhydride in portions within 5 hours. The catalyst was filtered off. The filtrate was acidified with 35% HC1 to a pH of about 2 and heated to 60C for 2.5 hours to produce a solution comprising 90% of the compound of formula (11) (R = ethyl).
  • 4
  • [ 29705-38-2 ]
  • C11H19N3O2 [ No CAS ]
  • 5
  • [ 29705-38-2 ]
  • 4-{5-[bis(2-chloro-ethyl)amino]-1-methyl-2-benzimidazolyl}butyric acid hydrochloride [ No CAS ]
  • 6
  • [ 29705-38-2 ]
  • [ 109882-31-7 ]
  • 7
  • [ 29705-38-2 ]
  • [ 3543-74-6 ]
  • 8
  • [ 29705-38-2 ]
  • [ 1464999-05-0 ]
  • 9
  • [ 29705-38-2 ]
  • [ 150-13-0 ]
  • [ 117907-48-9 ]
YieldReaction ConditionsOperation in experiment
With potassium carbonate; In water; 6. 2-nitro-4-N,N-bis-(2-hydroxyethyl)-aminodiphenylamine-4'-carboxylic acid, potassium salt A mixture of (A) 3.4 g (0.025 mol) 4-aminobenzoic acid, (B) 6.2 g (0.025 mol) 4-fluoro-3-nitro-N,N-bis-(2-hydroxyethyl)-aminobenzene, 3.8 g (0.027 mol) potassium carbonate and 10 ml water was heated for 7 hours to 120 C. in an autoclave. After cooling, the solution was concentrated to dryness. The residue was recrystallized from a mixture of ethanol and water. Yield: red crystals, melting point above 250 C.
  • 10
  • [ 5036-48-6 ]
  • [ 29705-38-2 ]
  • [ 282730-50-1 ]
YieldReaction ConditionsOperation in experiment
a 1st Stage: Synthesis of 2-{(2-Hydroxyethyl)(4-(3-(imidazol-1-yl)propylamino)-3-nitrophenyl)amino}ethanol. The procedure described in Example 7 (2nd stage) was used. From 29.3 g (0.12 mol) of [29705-38-2]2-((4-fluoro-3-nitrophenyl)(2-hydroxyethyl)amino)ethanol (RN 29705-38-2) and from 50.0 g (0.4 mol) of 3-(imidazol-1-yl)propylamine (RN 5036-48-6), 39.0 g of purple crystals were obtained, which crystals, after purification by recrystallization from refluxing 96 ethyl alcohol, melted at 141 C. (Kofler) and had an elemental analysis, calculated for C16H23N5O4, of:
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