3,3-dimethylbutanesulfonic acid | 16427-42-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: 3,3-dimethylbutanesulfonic acid
• 英文别名: 3,3-Dimethylbutane-1-sulfonic acid
• CAS: 16427-42-2
• 化学式: C₆H₁₄O₃S
• 分子量: 166.241
• InChiKey: SWJVHJZZBCLYLA-UHFFFAOYSA-N

物化性质

• 沸点：
  59 °C(Press: 0.5 Torr)
• 密度：
  1.072±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  62.8
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2904100000

反应信息

• 作为反应物：
  描述：

  3,3-dimethylbutanesulfonic acid 、 甲酸乙酯 生成 1-Diazo-3,3-dimethyl-butane-1-sulfonic acid
  参考文献：
  名称：

  Berkessel, Albrecht; Voges, Markus, Chemische Berichte, 1989, vol. 122, p. 1147 - 1152

  摘要：

  DOI：
• 作为产物：
  描述：

  2,2-二甲基丁烷 在 甲酸 、 二氧化硫 、 双氧水 、 汞 作用下， 生成 3,3-dimethyl-2-butanesulfonic acid 、 3,3-dimethylbutanesulfonic acid 、 2,2-dimethylbutanesulfonic acid
  参考文献：
  名称：

  Mercury-photosensitized sulfination, hydrosulfination, and carbonylation of hydrocarbons: alkane and alkene conversion to sulfonic acids, ketones, and aldehydes

  摘要：

  Mercury-photosensitized sulfination of alkanes, RH, with SO2 forms sulfinic acids (RSOOH) and sulfinate esters (RSOOR) in high conversion and yield; oxidation of the mixture produces RSO2OH in high yield. Mercury-photosensitized hydrosulfination of alkenes with H2 and SO2 gives RSO2OH after oxidative workup. Mercury-photosensitized carbonylation of alkanes with CO gives RCHO and R2CO.

  DOI：

  10.1021/jo00019a006

文献信息

• Method for producing anellated tetrahydro-{1h}-triazoles
  申请人：——

  公开号：US20040097728A1

  公开（公告）日：2004-05-20

  The present invention relates to a process for preparing fused tetrahydro-[ 1 H]-triazoles of the formula I 1 where the variables R a , Z, Z 1 , X, W, n and Q are as defined in claim 1, by cyclization of compounds of the formula II 2 where R is C(X)OR 2 or C(X)SR 2 , where X is oxygen or sulfur, and R 2 is as defined in claim 1, in the presence of a base. The invention also relates to compounds of the formula I where W is sulfur if Z is a methylene group optionally substituted by R a , and furthermore to compounds of the formula I where Q is a benzoxazole or benzothiazole radical, and to the use of these compounds as herbicides.

  本发明涉及一种制备公式I的熔融四氢咪唑的方法，其中变量Ra、Z、Z1、X、W、n和Q如权利要求1中定义，通过在碱存在下，将公式II的化合物环化得到，其中R为C(X)OR2或C(X)SR2，其中X为氧或硫，R2如权利要求1中定义。该发明还涉及公式I的化合物，其中如果Z是可选地由Ra取代的亚甲基基团，则W为硫，此外还涉及公式I的化合物，其中Q为苯并噁唑或苯并噻唑基团，并将这些化合物用作除草剂。
• Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use
  申请人：Sankyo Company Limited

  公开号：EP0536936A1

  公开（公告）日：1993-04-14

  Compounds of formula (I): [in which: R¹, R² and R³ are the same or different and each represents a hydrogen atom, an optionally substituted alkanoyl group or an alkenylcarbonyl group, provided that at least one of R¹, R² and R³ represents an unsubstituted alkanoyl group having from 5 to 24 carbon atoms, said substituted alkanoyl group or said alkenylcarbonyl group; and one of R⁴ and R⁵ represents a hydrogen atom and the other represents a cyano group]; have valuable anti-tumour activity.

  式子（I）的化合物：[其中：R¹、R²和R³相同或不同，每个代表氢原子、可选取代的脂肪酰基团或烯基羰基团，前提是至少有一个R¹、R²和R³代表有5到24个碳原子的未取代脂肪酰基团，或者是所述取代的脂肪酰基团或所述烯基羰基团；R⁴和R⁵中的一个代表氢原子，另一个代表氰基]，具有有价值的抗肿瘤活性。
• GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE
  申请人：Lin Songnian

  公开号：US20110281795A1

  公开（公告）日：2011-11-17

  Glucagon receptor antagonist compounds are disclosed. The compounds are useful for treating type 2 diabetes and related conditions. Pharmaceutical compositions and methods of treatment are also included.

  本发明揭示了糖高原受体拮抗剂化合物。该化合物可用于治疗2型糖尿病及相关疾病。此外，还包括制药组合物和治疗方法。
• GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS
  申请人：Lin Songnian

  公开号：US20110251248A1

  公开（公告）日：2011-10-13

  Glucagon receptor antagonist compounds are disclosed. The compounds are useful for treating type 2 diabetes and related conditions. Pharmaceutical compositions and methods of treatment are also included.

  披露了胰高血糖素受体拮抗剂化合物。这些化合物对于治疗2型糖尿病及相关疾病非常有用。还包括药物组成物和治疗方法。
• TREPROSTINIL DERIVATIVE COMPOUNDS AND METHODS OF USING SAME
  申请人：Corsair Pharma, Inc.

  公开号：US20150166503A1

  公开（公告）日：2015-06-18

  Compounds represented by formulae I, II, III, and IV including pro-drugs for treprostinil and prostacyclin analogs. Uses include treatment of pulmonary hypertension (PH) or pulmonary arterial hypertension (PAH). The structures of the compounds can be adapted to the particular application for a suitable treatment dosage. Transdermal applications can be used.

  式子 I、II、III 和 IV 所代表的化合物包括替前列环素和前列环素类似物的前药。用途包括治疗肺高压（PH）或肺动脉高压（PAH）。这些化合物的结构可以根据适当的治疗剂量适应特定的应用。可以使用经皮应用。