2,2,2-三氯乙基 2-溴-乙酸酯 | 55110-70-8

• 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: 2,2,2-三氯乙基 2-溴-乙酸酯
• 中文别名: 2,2,2-三氯乙基2-溴-乙酸酯
• 英文名称: 2,2,2-trichloroethyl 2-bromoacetate
• CAS: 55110-70-8
• 化学式: C₄H₄BrCl₃O₂
• 分子量: 270.338
• InChiKey: GEYYLJCQSBTPQO-UHFFFAOYSA-N

物化性质

• 沸点：
  308.9±37.0 °C(Predicted)
• 密度：
  1.858±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2915900090

反应信息

• 作为反应物：
  描述：

  2,2,2-三氯乙基 2-溴-乙酸酯 在 N,N′-双(对甲苯磺酰)肼 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 四氢呋喃 为溶剂， 反应 0.17h， 生成 2,2,2-trichloroethyl 2-diazoacetate
  参考文献：
  名称：

  可见光促进的重氮乙酸盐和腈产生被苯并三唑和羧酸捕获的腈离子

  摘要：

  已经开发出一种可见光促进的从重氮乙酸盐和腈中产生腈离子的方法。该反应利用重氮乙酸盐的可见光转化为游离卡宾，该游离卡宾可以被腈捕获以产生腈离子，然后对苯并三唑和羧酸进行亲核攻击。该协议为N -imidoylbenzotriazoles 和 diacylglycine 酯提供了一种有效且实用的方法，收率良好。

  DOI：

  10.1021/acs.orglett.2c02426
• 作为产物：
  描述：

  溴乙酰氯 、 2,2,2-三氯乙醇 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 2,2,2-三氯乙基 2-溴-乙酸酯
  参考文献：
  名称：

  Unsymmetrical DNA Cross-Linking Agents:  Combination of the CBI and PBD Pharmacophores

  摘要：

  A set of 10 compounds, each combining the seco-1,2,9,9a-tetrahydrocyclopropa[c]benz[e]indol-4-one (seco-CBI) and pyrrolo[2,1-c][1,4]benzodiazepine (PBD) pharmacophores, was designed and prepared. These compounds were anticipated to cross-link between N3 of adenine and N2 of guanine in the minor groove of DNA. The compounds, which differ in the chain length separating the two alkylation subunits, and the configuration of the CBI portion, showed great variation in cellular toxicity (over 4 orders of magnitude in a cell line panel) with the most potent example exhibiting IC50S in the pM range. Cytotoxicity correlated with the ability of the compounds to cross-link naked DNA. Cross-linking was also observed in living cells, at much lower concentrations than for a related symmetrical PBD dimer. A thermal cleavage assay was used to assess sequence selectivity, demonstrating that the CBI portion controlled the alkylation sites, while the PBD substituent increased the overall efficiency of alkylation. Several compounds were tested for in vivo activity using a tumor growth delay assay against WiDr human colon carcinoma xenografts, with one compound (the most cytotoxic and most efficient cross-linker) showing a statistically significant increase in survival time following a single iv dose.

  DOI：

  10.1021/jm020526p

文献信息

• Fluorocarbon derivatives of nitrogen. Part 19. Synthesis and mass spectrometric analysis of some pyridinium (tetrafluoro-4-pyridyl)-methylides
  作者：Ronald Eric Banks、William Thain Flowers、Suad Najmaldin Khaffaf

  DOI：10.1016/s0022-1139(00)82244-7

  日期：1991.6

  phenacylide [ → py+C̄(COPh)C5F4N-4] and a range of pyridinium alkoxycarbonylmethylides [ → py+C̄(CO2R)C5F4N-4, R = Me, Et, Prn, Pri, CH2CCl3, CH2CF3, CH2Ph, CH2CH2Ph]. A detailed analysis of the mass spectrometric fragmentation patterns for the alkoxycarbonyl compounds has been carried out. Spectroscopic data has also been obtained for pyridinium methylides synthesised from pyridinium ethoxycarbonylmethylide

  九个新的吡啶鎓methylides已经通过S合成Ñ从五氟4-氟吡啶鎓phenacylide的氩位移[→PY + C̄（COPH）C 5 ˚F 4 N-4]和一系列吡啶鎓alkoxycarbonylmethylides的[→PY +  C̄（CO 2 R）C 5 F 4 N-4，R = Me，Et，Pr n，Pr i，CH 2 CCl 3，CH 2 CF 3，CH 2 Ph，CH 2 CH 2Ph]。已经对烷氧基羰基化合物的质谱碎裂模式进行了详细分析。还获得了由吡啶鎓乙氧基羰基甲基化物和3-氯四氟吡啶或八氟甲苯合成的吡啶鎓甲基化物的光谱数据。
• [EN] ITACONIC ACID DERIVATIVES AND USES THEREOF IN TREATING AN INFLAMMATORY DISEASE OR A DISEASE ASSOCIATED WITH AN UNDESIRABLE IMMUNE RESPONSE<br/>[FR] DÉRIVÉS D'ACIDE ITACONIQUE ET LEURS UTILISATIONS DANS LE TRAITEMENT D'UNE MALADIE INFLAMMATOIRE OU D'UNE MALADIE ASSOCIÉE À UNE RÉPONSE IMMUNITAIRE INDÉSIRABLE
  申请人：SITRYX THERAPEUTICS LTD

  公开号：WO2020222010A1

  公开（公告）日：2020-11-05

  The invention relates to compounds of formula (I) and to their use in treating or preventing an inflammatory disease or a disease associated with an undesirable immune response: (I) wherein R A, R B, R C and R D are as defined herein.

  该发明涉及公式（I）的化合物及其在治疗或预防炎症性疾病或与不良免疫反应相关的疾病中的应用：（I）其中RA、RB、RC和RD如本文所定义。
• Anthracyclines
  申请人：Research Corporation

  公开号：US04196127A1

  公开（公告）日：1980-04-01

  There is provided a novel method of synthesizing certain heterocyclic quinones. In particular there is provided a novel and regiospecific synthesis of 9-acetyl-6,11-dihydroxy-4-methoxy-7,8,9,10-tetrahydronaphthacene-5,12-quin one (7,9-dideoxydaunomycinone) which is a known intermediate in the synthesis of daunomycinone. There is also provided a method of preparing analogs of 7,9-dideoxydaunomycinone which thus provide for the preparation of known and desired analogs of daunomycinone. Daunomycinone is a known compound which is an intermediate in the preparation of the clinically accepted naturally-occurring antitumor antibiotics daunomycin and its derivative adriamycin.

  提供了一种新的合成某些杂环醌类化合物的方法。特别地，提供了一种新的、具有区域特异性的合成9-乙酰基-6,11-二羟基-4-甲氧基-7,8,9,10-四氢萘并-5,12-醌(7,9-二脱氧多柔比星醌)的方法，该化合物是多柔比星醌的合成中已知的中间体。同时，还提供了一种制备7,9-二脱氧多柔比星醌的类似物的方法，从而提供了制备多柔比星醌已知和所需类似物的方法。多柔比星醌是一种已知的化合物，是制备临床上已接受的自然产生的抗肿瘤抗生素多柔比星及其衍生物阿霉素的中间体。
• Soft anticholinergic esters
  申请人：Bodor S. Nicholas

  公开号：US20070123557A1

  公开（公告）日：2007-05-31

  Soft anticholinergic esters of the formulas: wherein R 1 and R 2 are both phenyl or one of R 1 and R 2 is phenyl and the other is cyclopentyl; R is C 1 -C 8 alkyl, straight or branched chain; and X − is an anion with a single negative charge; and wherein each asterisk marks a chiral center; said compound having the R, S or RS stereoisomeric configuration at each chiral center unless specified otherwise, or being a mixture thereof.

  以下是化学式： 其中，R1和R2都是苯基或R1和R2中的一个是苯基，另一个是环戊基；R是C1-C8烷基，直链或支链；X-是带有单负电荷的阴离子；每个星号标记一个手性中心。该化合物在每个手性中心上具有R、S或RS立体异构体构型，除非另有规定，或者是它们的混合物。
• [EN] ITACONIC ACID DERIVATIVES<br/>[FR] DÉRIVÉS D'ACIDE ITACONIQUE
  申请人：SITRYX THERAPEUTICS LTD

  公开号：WO2022090723A1

  公开（公告）日：2022-05-05

  The invention relates to compounds of formula (I) and to their use in treating or preventing an inflammatory disease or a disease associated with an undesirable immune response: wherein RA1, RA2, R1to R5, L and RBare as defined herein.

  该发明涉及式(I)化合物及其在治疗或预防炎症性疾病或与不良免疫反应相关的疾病中的使用，其中RA1、RA2、R1至R5、L和RB如定义所述。