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Chemical Structure| 115514-77-7 Chemical Structure| 115514-77-7

Structure of 115514-77-7

Chemical Structure| 115514-77-7

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Product Details of [ 115514-77-7 ]

CAS No. :115514-77-7
Formula : C8H10ClNO
M.W : 171.62
SMILES Code : NCC1=CC=C(OC)C(Cl)=C1
MDL No. :MFCD00995395
InChI Key :OCNMSDZALRAYEX-UHFFFAOYSA-N
Pubchem ID :738038

Safety of [ 115514-77-7 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H314
Precautionary Statements:P280-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338-P310
Class:8
UN#:2735
Packing Group:

Application In Synthesis of [ 115514-77-7 ]

* 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 [ 115514-77-7 ]

[ 115514-77-7 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 115514-77-7 ]
  • [ 76872-23-6 ]
  • 2-chloro-6-methyl-4-(3-chloro-4-methoxybenzylamino)-thieno-[2,3-d]-pyrimidine [ No CAS ]
YieldReaction ConditionsOperation in experiment
EXAMPLE 12 Following the procedure of Example 1, the reaction of 3-chloro-4-methoxybenzylamine with 2,4-dichloro-6-methyl-thieno-[2,3-d]-pyrimidine yields 2-chloro-6-methyl-4-(3-chloro-4-methoxybenzylamino)-thieno-[2,3-d]-pyrimidine.
EXAMPLE 12 Following the procedure of Example 1, the reaction of 3-chloro-4-methoxybenzylamine with 2,4-dichloro-6-methyl-thieno-[2,3-d]-pyrimidine yields 2-chloro-6-methyl-4-(3-chloro-4-methoxybenzylamino)-thieno-[2,3-d]-pyrimidine
  • 2
  • [ 56844-38-3 ]
  • [ 115514-77-7 ]
  • 2-chloro-5-methyl-4-(3-chloro-4-methoxybenzylamino)-thieno-[2,3-d]-pyrimidine [ No CAS ]
YieldReaction ConditionsOperation in experiment
EXAMPLE 13 Following the procedure of Example 1, the reaction of 3-chloro-4-methoxybenzylamine with <strong>[56844-38-3]2,4-dichloro-5-methyl-thieno-[2,3-d]-pyrimidine</strong> yields 2-chloro-5-methyl-4-(3-chloro-4-methoxybenzylamino)-thieno-[2,3-d]-pyrimidine.
EXAMPLE 13 Following the procedure of Example 1, the reaction of 3-chloro-4-methoxybenzylamine with <strong>[56844-38-3]2,4-dichloro-5-methyl-thieno-[2,3-d]-pyrimidine</strong> yields 2-chloro-5-methyl-4-(3-chloro-4-methoxybenzylamino)-thieno-[2,3-d]-pyrimidine
  • 3
  • [ 115514-77-7 ]
  • [ 178308-61-7 ]
  • [ 178308-63-9 ]
YieldReaction ConditionsOperation in experiment
With triethylamine; In tetrahydrofuran; 66.2 g of <strong>[178308-61-7]6-cyano-1,4-dichlorophthalazine</strong> and 92 g of 3-chloro-4-methoxybenzylamine were suspended in 1,200 ml of tetrahydrofuran. After adding 250 ml of triethylamine, the resulting mixture was heated under reflux for 6 hours. The resulting crystals were filtered off and the filtrate was evaporated. The residue was purified by silica gel column chromatography (toluene:tetrahydrofuran=10:1) to give 59 g of 1-chloro-4-(3-chloro-4-methoxybenzyl)amino-6-cyanophthalazine as pale yellow crystals. M.p.: 213.0-214.5 C., Mass 359(MH+), 1H-NMR(400 MHz, CDCl3) δ: 3.87(3H, s), 4.78(2H, d, J=5.0 Hz), 5.75(1H, t, J=5.0 Hz), 6.87(1H, d, J=8.5 Hz), 7.31(1H, dd, J=8.5, 2.0 Hz), 7.43(1H, d, J=2.0 Hz), 8.05(1H, dd, J=8.5, 1.5 Hz), 8.24(1H, dd, J=1.5, 1.0 Hz), 8.29(1H, dd, J=8.5, 0.5 Hz).
 

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