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Chemical Structure| 919-29-9 Chemical Structure| 919-29-9

Structure of 919-29-9

Chemical Structure| 919-29-9

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Product Details of [ 919-29-9 ]

CAS No. :919-29-9
Formula : C11H24O3
M.W : 204.31
SMILES Code : CCCCC(OCC)(OCC)OCC
MDL No. :MFCD00059383
InChI Key :DIKAUBKIDNXNNW-UHFFFAOYSA-N
Pubchem ID :70195

Safety of [ 919-29-9 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H225-H315-H319
Precautionary Statements:P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
Class:3
UN#:3272
Packing Group:

Application In Synthesis of [ 919-29-9 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 919-29-9 ]

[ 919-29-9 ] Synthesis Path-Downstream   1~1

  • 1
  • methyl 4'-aminomethylbiphenyl-2-carboxylate hydrochloride [ No CAS ]
  • [ 919-29-9 ]
  • [ 20605-41-8 ]
  • 3-Butyl-5-methoxymethyl-4-[(2'-carbomethoxy-biphenyl-4-yl)methyl]-1.2.4-triazole [ No CAS ]
YieldReaction ConditionsOperation in experiment
With 1,8-diazabicyclo[5.4.0]undec-7-ene; Part B: 3-Butyl-5-methoxymethyl-4-[(2'-carbomethoxy-biphenyl-4-yl)methyl]-1.2.4-triazole A solution of triethyl orthovalerate (3.3 g, 16.2 mmol), methoxyacetyl hydrazide (1.7 g, 16.2 mmol) and DBU (1.8 g, 11.9 mmol) in xylenes (50 ml) was refluxed for 2 hrs and cooled to room temperature, whereupon methyl 4'-aminomethylbiphenyl-2-carboxylate hydrochloride (3.0 g, 10.0 mmol) was added. The reaction was brought back to reflux for a further 24 h. After being cooled to room temperature, the mixture was diluted with ethyl acetate (150 ml) and washed with water (100 ml), saturated aqueous sodium chloride and dried (MgSO4). Filtration and evaporation of solvents gave 4.8 g of a yellow oil which was purified by flash chromatography on silica gel (150 g, 5-10percent EtOAc/hexane) to afford 3.4 g (78percent) of the title compound as a yellow viscous oil. NMR (200 MHz, CDCl3, TMS) delta: 7.87-7.05 (m,8H), 5.25 (s,2H), 4.56 (s,2H), 3.67 (s,3H), 3.37 (s,3H), 2.68 (t,J=8 Hz,2H), 1.73 (m,2H), 1.38 (m,2H), 0.90 (t, J=9 Hz, 3H).
With 1,8-diazabicyclo[5.4.0]undec-7-ene; Part B 3-Butyl-5-methoxymethyl-4-[(2'-carbomethoxybiphenyl-4-yl)methyl]-1,2,4-triazole A solution of triethyl orthovalerate (3.3 g, 16.2 mmol), methoxyacetyl hydrazide (1.7 g, 16.2 mmol) and DBU (1.8 g, 11.9 mmol) in xylenes (50 ml) was refluxed for 2 hrs and cooled to room temperature, whereupon methyl 4'-aminomethylbiphenyl-2-carboxylate hydrochloride (3.0 g, 10.0 mmol) was added. The reaction was brought back to reflux for a further 24 h. After being cooled to room temperature, the mixture was diluted with ethyl acetate (150 ml) and washed with water (100 ml), saturated aqueous sodium chloride and dried (MgSO4). Filtration and evaporation of solvents gave 4.8 g of a yellow oil which was purified by flash chromatography on silica gel (150 g, 5-10percent EtOAc/hexane) to afford 3.4 g (78percent) of the title compound as a yellow viscous oil. NMR (200 MHz,CDCl3,TMS)delta: 7.87-7.05(m,8H), 5.25(s,2H), 4.56(s,2H), 3.67(s,3H), 3.37(s,3H), 2.68(t,J=8 Hz,2H), 1.73(m,2H), 1.38(m,2H), 0.90(t,J=9 Hz,3H).
 

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