• Title/Summary/Keyword: Strained-ring

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Studies on the Strained Ring Compound System (II) The Formation of Tetrahedrane in the Pyrolysis of 2-Butenedial Ditosylhydrazone (小員環 化合物에 關한 硏究 (II) 2-Butenedial Ditosylhydrazone 熱分解에 있어서의 Tetrahedrane 生成에 關하여)

  • Hak-Ki Lee
    • Journal of the Korean Chemical Society
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    • v.13 no.4
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    • pp.347-353
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    • 1969
  • trans-1, 4-Dideutero-2-butenedial ditosylhydrazone has been synthesized to investigate the path of the acetylene formation in the pyrolysis of the dry lithium salt. Mass spectra showed that three isotope isomers of acetylene which might come from the strained ring compound, tricyclo[1, 1, 0, ] butane, were formed.

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Studies on the Strained Ring Compound System (I) The Base-Induced Pyrolysis of 2-Butenedial Distosylhydrazone (小員環 化合物에 關한 硏究 (I) 2-Butenedial Ditosylhydrazone의 熱分解에 關하여)

  • Hak-Ki Lee
    • Journal of the Korean Chemical Society
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    • v.13 no.4
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    • pp.341-346
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    • 1969
  • The synthesis and pyrolysis of trans-2-butenedial ditosylhydrazone with sodium methoxide in aprotic solvents have been studied to investigate the products of pyrolysis. The pyrolysis of dry lithium salt of tosylhydrazone also has been made, one of its products was acetylene which might come from a certain strained ring compound.

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Computational Study on Spirocyclic Compounds as Energetic Materials (I)

  • Seok, Won K.
    • Bulletin of the Korean Chemical Society
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    • v.35 no.4
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    • pp.989-993
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    • 2014
  • The molecular structures of 2,6-diaza-1,3,5,7-tetraoxaspiro[3,3]heptane (1) and its dinitro derivative, 2,6-dinitro-2,6-diaza-1,3,5,7-tetraoxaspiro[3,3]heptane (2), were fully optimized without symmetry constraints at $HF/6-31G^*$ level of theory. A bisected conformation with respect to the ring is preferred with a $C_2$ symmetric structure. The density of each molecule in the crystalline state was estimated to 1.12 and 2.36 $g/cm^3$ using PM3/VSTO-3G calculations from the molecular volume. The heat of formation was calculated for two compounds at the CBS-4M level of theory. The detonation parameters were computed using the EXPLO5 software: D = 6282 m/s, $P_{C-J}$ = 127 kbar for compound 1, D = 7871 m/s, $P_{C-J}$ = 307 kbar for compound 2, and D = 6975 m/s, $P_{C-J}$ = 170 kbar for 60% compound 2 with 40% TNT. Specific impulse of compound 1 in aluminized formulation when used as monopropellants was very similar to that of the conventional ammonium perchlorate in the same formulation of aluminum.

Advances synthesis process of TNAZ (분자화약 TNAZ 합성에 대한 개선 기법)

  • 전용구
    • Journal of the Korea Institute of Military Science and Technology
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    • v.6 no.1
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    • pp.108-115
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    • 2003
  • TNAZ is a high explosive material because it is a highly strained ring compound containing one nitramine and gem dinditro groups. 1-t-butyl-3-nitroazetidine which was used as an intermediate previously, which declined the overall yield in synthesizing TNAZ. We obtained 1-t-butyl-3-hydroxymethyl-3-nitroazetidine in 64% yield from advances process which was used in synthesis of 1-t-butyl-3-nitroazetidine. The reaction pathway, shortening of reaction time, together with improvement of yield were studied too. We have obtained TNAZ in 85% yield.