乙基(5-氯-1H-四唑-1-基)乙酸酯 | 26476-24-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 乙基(5-氯-1H-四唑-1-基)乙酸酯
• 英文名称: 5-Chlor-tetrazolyl-(1)-essigsaeureethylester
• 英文别名: 5-Chloro-1H-tetrazole-1-acetic acid ethyl ester；ethyl 5-chloro-1H-tetrazol-1-ylacetate；ethyl 5-chloro-1H-tetrazol-1-acetate；(5-chloro-tetrazol-1-yl)-acetic acid ethyl ester；ethyl 2-(5-chlorotetrazol-1-yl)acetate
• CAS: 26476-24-4
• 化学式: C₅H₇ClN₄O₂
• 分子量: 190.589
• InChiKey: FQHBQSCFBCYVDG-UHFFFAOYSA-N

物化性质

• 沸点：
  320.1±44.0 °C(Predicted)
• 密度：
  1.56±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  69.9
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  乙基(5-氯-1H-四唑-1-基)乙酸酯 生成 ethyl 2-(5-mercapto-1H-tetrazol-1-yl)acetate
  参考文献：
  名称：

  KATNER, A. S.;BOGARD, S. J.

  摘要：

  DOI：
• 作为产物：
  描述：

  叠氮乙酸乙酯 生成 乙基(5-氯-1H-四唑-1-基)乙酸酯
  参考文献：
  名称：

  KATNER, A. S.;BOGARD, S. J.

  摘要：

  DOI：

文献信息

• 1-and 2-(1-Alkyl-1H-tetrazol-5-yl-methyl)-1H-tetrazol-5-thiols and
  申请人：Eli Lilly and Company

  公开号：US04338452A1

  公开（公告）日：1982-07-06

  Tetrazole thiols represented by the formulae ##STR1## and the C.sub.1 -C.sub.3 alkyl derivatives thereof are provided. The tetrazole thiols are useful in the preparation of broad spectrum cephalosporin antibiotics.

  提供了由以下公式所表示的四唑硫醇##STR1##及其C.sub.1 -C.sub.3烷基衍生物。这些四唑硫醇在制备广谱头孢菌素抗生素中非常有用。
• Bis-tetrazoylmethyl substituted cephalosporin antibiotics
  申请人：Eli Lilly and Company

  公开号：US04346076A1

  公开（公告）日：1982-08-24

  7.beta.-Acylamino-3-cephem-4-carboxylic acids substituted in the 3-position with a bis-tetrazolemethylthiomethyl group and the corresponding 7.alpha.-methoxy cephalosporins represented by the formula ##STR1## wherein R is an acyl group, R.sub.2 is H or OCH.sub.3 and R.sub.4 is H or C.sub.1 -C.sub.3 alkyl; are broad spectrum antibiotics useful in the treatment and control of microorganisms pathogenic to man and animals. 7.beta.-Amino nucleus compounds represented when R is hydrogen are intermediates useful in the preparation of the antibiotics where R is acyl.

  7.beta.-酰基氨基-3-头孢烷-4-羧酸在3位上被双四唑甲硫甲基取代，以及相应的7.alpha.-甲氧基头孢菌素，其化学式为##STR1##其中，R是酰基，R.sub.2为H或OCH.sub.3，R.sub.4为H或C.sub.1-C.sub.3烷基；是广谱抗生素，可用于治疗和控制对人类和动物有致病性的微生物。当R为氢时，所表示的7.beta.-氨基核化合物是制备酰基为R的抗生素的中间体。
• Process for the preparation of dichloroisonitrilocarboxylic acid esters
  申请人：Dynamit Nobel Aktiengesellschaft

  公开号：US04652671A1

  公开（公告）日：1987-03-24

  It is suggested to produce 5-chloro-1H-tetrazolecarboxylic acid esters by reaction of dichloroisonitriloacetic acid esters with alkali or metal azides or ammonium azide. The dichloroisonitriloacetic acid esters required for this purpose are formed by reacting N-formylaminocarboxylic acid esters with chlorine or with compounds which split off chlorine.

  建议通过二氯异硝腈乙酸酯与碱性或金属的偶氮化物或铵偶氮化物反应来生产5-氯-1H-四唑羧酸酯。为此需要用N-甲酰氨基羧酸酯与氯或能够分解氯的化合物反应，形成所需的二氯异硝腈乙酸酯。
• 1-Oxa-.beta.-lactam antibiotics
  申请人：Eli Lilly and Company

  公开号：US04301282A1

  公开（公告）日：1981-11-17

  Bicyclic 1-oxa-.beta.-lactam diacid antibiotics represented by the formula ##STR1## wherein R is phenyl, hydroxyphenyl, acetoxyphenyl, alkylphenyl, or halophenyl, thienyl or furyl; R.degree. is H or OCH.sub.3 ; and the pharmaceutically acceptable non-toxic salts thereof are broad spectrum antibiotics useful for controlling infections in man and animals. The compounds are prepared by reacting the corresponding 3-halomethyl diester with 1-cyanomethyl-1H-tetrazole -5-thiol followed by deesterification.

  双环1-氧-β-内酰胺二酸类抗生素的化学式为##STR1##其中R为苯基、羟基苯基、乙酰氧基苯基、烷基苯基、卤代苯基、噻吩基或呋喃基；R.degree.为H或OCH.sub.3；它们的药学上可接受的非毒性盐是广谱抗生素，可用于控制人和动物的感染。该化合物是通过将相应的3-卤代甲基二酯与1-氰甲基-1H-四氮唑-5-硫醇反应，然后去酯化制备的。
• Bis-tetrazolmethyl substituted .beta.-lactam antibiotics
  申请人：Eli Lilly and Company

  公开号：US04304774A1

  公开（公告）日：1981-12-08

  Broad spectrum .beta.-lactam antibiotics represented by the formula ##STR1## wherein R is the residue of a carboxylic acid, R.sub.2 is H or OCH.sub.3, and R.sub.4 is hydrogen or C.sub.1 -C.sub.3 alkyl; are obtained by reacting a 7-acylamino-3-halomethyl-1-oxa-.beta.-lactam ester with the desired 1- or 2-tetrazolemethyl substituted 1H or 2H tetrazole-5-thiol. Alternatively, a 7-amino-3-halo-methyl-1-oxa-.beta.-lactam ester is first reacted with the bis-tetrazole thiol and then the product is N-acylated with the desired carboxylic acid.

  公式为 ##STR1## 的广谱β-内酰胺类抗生素，其中R是羧酸残基，R.sub.2是H或OCH.sub.3，R.sub.4是氢或C.sub.1-C.sub.3烷基。该抗生素是通过将7-酰氨基-3-卤代甲基-1-氧杂-β-内酰胺酯与所需的1-或2-四唑甲基取代的1H或2H四唑-5-硫醇反应而得到的。或者，首先将7-氨基-3-卤代甲基-1-氧杂-β-内酰胺酯与双四唑硫醇反应，然后再用所需的羧酸酰化产物。