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Chemical Structure| 17379-01-0 Chemical Structure| 17379-01-0

Structure of 17379-01-0

Chemical Structure| 17379-01-0

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Product Details of [ 17379-01-0 ]

CAS No. :17379-01-0
Formula : C10H14ClN
M.W : 183.68
SMILES Code : [H]Cl.C12=CC=CC=C1CCNCC2
MDL No. :MFCD08073397
InChI Key :ZTUGICZMQIRBNP-UHFFFAOYSA-N
Pubchem ID :17065230

Safety of [ 17379-01-0 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H302+H312+H332-H314
Precautionary Statements:P280-P305+P351+P338-P310
Class:8
UN#:1759
Packing Group:

Application In Synthesis of [ 17379-01-0 ]

* 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 [ 17379-01-0 ]

[ 17379-01-0 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 16357-68-9 ]
  • [ 17379-01-0 ]
  • [ 4774-34-9 ]
  • 4-(1,2,4,5-tetrahydro-benzo[d]azepin-3-yl)-pyrimidine-5-carbonitrile [ No CAS ]
YieldReaction ConditionsOperation in experiment
With phosphorus pentachloride; trichlorophosphate;N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; acetonitrile; EXAMPLE 76 4-(1,2,4,5-Tetrahydro-benzo[d]azepin-3-yl)-pyrimidine-5-carbonitrile In analogy to the procedure described in example 4 the 4-chloro-pyrimidine-5-carbonitrile (prepared from <strong>[4774-34-9]4-hydroxy-5-pyrimidine-carbonitrile</strong> and phosphorus oxychloride, phosphorus pentachloride and N-ethyl-N,N-diisopropylamine in acetonitril at reflux) was treated with 2,3,4,5-tetrahydro-1H-benzo[d]azepine hydrochloride [J. Heterocycl. Chem. (1971), 8(5), 779-83] in N,N-dimethylformamide in the presence of N-ethyl-N,N-diisopropylamine at room temperature to yield the 4-(1,2,4,5-tetrahydro-benzo[d]azepin-3-yl)-pyrimidine-5-carbonitrile as off white solid; MS: [M+H]+=251; m.p. 148-150 C.
  • 2
  • [ 60331-15-9 ]
  • [ 17379-01-0 ]
  • [ 324553-37-9 ]
YieldReaction ConditionsOperation in experiment
With triethylamine; In N,N-dimethyl-formamide; EXAMPLE 4 3-(6-Methoxy-2-methyl-5-nitro-pyrimidin-4-yl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine A solution of 0.204 g (1.0 mmol) of <strong>[60331-15-9]2-methyl-4-methoxy-5-nitro-6-chloro-pyrimidine</strong> [Helv. (1958), 41, 1806], 0.20 g (1.1 mmol) 2,3,4,5-tetrahydro-1H-benzo[d]azepine hydrochloride [J. Heterocycl. Chem. (1971), 8(5), 779-83] and 0.30 g (3.0 mmol) triethylamine in 10.0 ml N,N-dimethylformamide was stirred at room temperature for 60 h. The reaction mixture was then poured into 50 ml of an ice/water mixture and extracted three times with 60 ml of dichloromethane. The combined organic phases were washed twice with 50 ml of water, dried over magnesium sulphate, evaporated under reduced pressure and dried in a high vacuum. The residue obtained was then crystallized from dichloromethane/hexane to yield 0.28 g (0.9 mmol), 90%,3-(6-methoxy-2-methyl-5-nitro-pyrimidin-4-yl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine as a yellow solid; m.p. 123-128 C.
 

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[ 17379-01-0 ]

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