sec-butyl 3,5-dinitrobenzoate | 7510-57-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: sec-butyl 3,5-dinitrobenzoate
• 英文别名: (+/-)-3,5-dinitro-benzoic acid sec-butyl ester；3,5-dinitro-benzoic acid sec-butyl ester；(+/-)-3,5-Dinitro-benzoesaeure-sec-butylester；3,5-Dinitro-benzoesaeure-sec-butylester；sek.-Butyl-(3.5-dinitro-benzoat)；3.5-Dinitro-benzoesaeure-<1-methyl-propylester>；Benzoic acid, 3,5-dinitro-, sec-butyl ester；butan-2-yl 3,5-dinitrobenzoate
• CAS: 7510-57-8
• 化学式: C₁₁H₁₂N₂O₆
• 分子量: 268.226
• InChiKey: SWFWVZZGOVUDMH-UHFFFAOYSA-N

物化性质

• 熔点：
  73-75 °C
• 沸点：
  383.1±22.0 °C(Predicted)
• 密度：
  1.335±0.06 g/cm3(Predicted)
• 保留指数：
  1872;1878;1891;1881.8;1883

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  118
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  仲丁醇 、 3,5-二硝基苯甲酰氯 生成 sec-butyl 3,5-dinitrobenzoate
  参考文献：
  名称：

  Malone; Reid, Journal of the American Chemical Society, 1929, vol. 51, p. 3426

  摘要：

  DOI：

文献信息

• Genome Screen for Quantitative Trait Loci Contributing to Normal Variation in Bone Mineral Density: The Framingham Study
  作者：D. Karasik、R. H. Myers、L. A. Cupples、M. T. Hannan、D. R. Gagnon、A. Herbert、D. P. Kiel

  DOI：10.1359/jbmr.2002.17.9.1718

  日期：——

  A genome‐wide scan was performed in a randomly ascertained set of 330 extended families from the population‐based Framingham Study to identify chromosomal regions possibly linked to bone mineral density (BMD). A set of 401 microsatellite markers was typed at a 10‐centimorgan (cM) average density throughout the genome. BMD was measured at the femoral neck, trochanter, Ward's area, and lumbar spine in 1557 participants of both Framingham cohorts. BMDs were adjusted for age, body mass index (BMI), height, alcohol, caffeine, calcium and vitamin D intakes, smoking, physical activity, and estrogen use in women within each sex and cohort. Strong heritabilities (values between 0.543 and 0.633) were found for the adjusted BMD at all sites. Two‐point and multipoint quantitative linkage analyses were performed for each BMD site using the maximum likelihood variance components method. By two‐point screening, loci of suggestive linkage were identified on chromosomes 6 and 21, with the maximum log10 of the odds ratio (LOD) scores of 2.34 for the trochanter at D21S1446 and 2.93 for the femoral neck at D6S2427. Lumbar spine BMD had maxima at D6S2427 (LOD = 1.88) and at D12S395 (LOD = 2.08). Multipoint linkage analysis revealed suggestive linkage of trochanteric BMD at a broad (∼20 cM) interval on chromosome 21q, with the peak linkage close to D21S1446 (LOD = 3.14). LOD scores were 2.13 at 8q24 with Ward's BMD and 1.92 at 14q21.3 with lumbar spine BMD. This largest genome screen to date for genes underlying normal variation in BMD, adjusted for a large number of covariates, will help to identify new positional candidate genes, otherwise unrecognized.

  发现。
• The Chemistry of the N-Alkyl-N-nitrosoamides. II. A New Method for the Deamination of Aliphatic Amines
  作者：Emil H. White

  DOI：10.1021/ja01627a064

  日期：1955.11
• Drake; Veitch, Journal of the American Chemical Society, 1935, vol. 57, p. 2624
  作者：Drake、Veitch

  DOI：——

  日期：——
• Nitrosation of the N-alkyl-O-acylhydroxylamines. A new deamination method
  作者：Emil H. White、Max Ribi、Lee K. Cho、Notker Egger、Petar M. Dzadzic、Michael J. Todd

  DOI：10.1021/jo00199a024

  日期：1984.12
• OELSCHLAEGER, H.;FRITSCH, H., ARCH. PHARM., 1985, 318, N 8, 759-763
  作者：OELSCHLAEGER, H.、FRITSCH, H.

  DOI：——

  日期：——