3,3-dimethylbutan-2-yl chloroformate | 53561-76-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: 3,3-dimethylbutan-2-yl chloroformate
• 英文别名: 1,2,2-Trimethylpropylchlorformat；3,3-Dimethylbut-2-yl-chlorformat；3,3-Dimethylbutan-2-yl carbonochloridate
• CAS: 53561-76-5
• 化学式: C₇H₁₃ClO₂
• 分子量: 164.632
• InChiKey: JIMYICRHCSFQPN-UHFFFAOYSA-N

物化性质

• 沸点：
  168.7±9.0 °C(Predicted)
• 密度：
  1.032±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,3-dimethylbutan-2-yl chloroformate 、 4-benzyl-2-(4-methoxyphenyl)oxazol-5(4H)-one 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 以85%的产率得到4-benzyl-2-(4-methoxyphenyl)oxazol-5-yl 3,3-dimethylbutan-2-yl carbonate
  参考文献：
  名称：

  Probing the Efficiency of N-Heterocyclic Carbene Promoted O- to C-Carboxyl Transfer of Oxazolyl Carbonates

  摘要：

  Screening of a range of azolium salts, bases and solvents for reactivity indicates that triazolinylidenes, generated in situ with KHMDS in THF, promote the Steglich rearrangement of oxazolyl carbonates with high catalytic efficiency (typical reaction time 5 min at < 1.5 mol % NHC). This protocol shows wide substrate applicability, even allowing the efficient generation of vicinal quaternary centers. An improved experimental procedure is also described that allows a simplified one-pot reaction protocol to be employed with similarly high catalytic efficiency.

  DOI：

  10.1021/jo702720a
• 作为产物：
  描述：

  光气 、 3,3-二甲基-2-丁醇 以 乙醚 为溶剂， 生成 3,3-dimethylbutan-2-yl chloroformate
  参考文献：
  名称：

  Beckwith,A.L.J. et al., Australian Journal of Chemistry, 1974, vol. 27, p. 1693 - 1710

  摘要：

  DOI：

文献信息

• Antiviral tetrahydroimidazo [1,4]-benzodiazepines
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP0417840A1

  公开（公告）日：1991-03-20

  Tetrahydroimidazo[1,4]benzodiazepines of formula wherein R¹ is C₁₋₆alkyl optionally substituted with aryl; C₃₋₆alkynyl; C₃₋₆cycloalkyl; or a radical of formula: R², R³ and R⁷ are hydrogen or C₁₋₆alkyl; R⁴ and R⁵ are hydrogen, C₁₋₆alkyl, halo, cyano, nitro, trifluoromethyl, hydroxy, C₁₋₆alkyloxy, amino, mono- or di(C₁₋₆alkyl)amino, (C₁₋₆alkyl or aryl)­carbonylamino; R⁶ is C₁₋₆alkyl; and X is OH, SH or NR¹⁶R¹⁷; the acid addition salts and stereochemically isomeric forms thereof; said compounds having antiretroviral activity. Pharmaceutical compositions comprising said compounds as active ingredient and methods of preparing said compounds and pharmaceutical compositions.

  式中的四氢咪唑并[1,4]苯并二氮杂卓 其中 R¹ 是任选被芳基取代的 C₁₋₆烷基；C₃₋₆炔基；C₃₋₆环烷基；或式中的基： R²、R³ 和 R⁷ 是氢或 C₁₋₆ 烷基； R⁴ 和 R⁵ 是氢、C₁₋₆烷基、卤代、氰基、硝基、三氟甲基、羟基、C₁₋₆烷氧基、氨基、单或双(C₁₋₆烷基)氨基、(C₁₋₆烷基或芳基)羰基氨基； R⁶ 是 C₁₋₆ 烷基；以及 X 是 OH、SH 或 NR¹⁶R¹⁷ ； 酸加成盐及其立体异构体；所述化合物具有抗逆转录病毒活性。包含上述化合物作为活性成分的药物组合物，以及制备上述化合物和药物组合物的方法。
• METHOD FOR PRODUCING PEPTIDE COMPOUND
  申请人：Nissan Chemical Corporation

  公开号：EP3939959A1

  公开（公告）日：2022-01-19

  The present invention is to provide a method for producing a peptide containing an N-alkylamino acid, which comprises the following Steps (1) to (3). Step (1): a step of mixing an N-terminal protected amino acid or an N-terminal protected peptide with a carboxylic acid halide or a halogenated alkyl formate; Step (2): a step of mixing an amino acid or a peptide in which the N-terminal and the C-terminal are not protected with a trialkylsilylating agent; and Step (3): a step of mixing the product obtained in Step (1) with the product obtained in Step (2).

  本发明旨在提供一种生产含有N-烷基氨基酸的多肽的方法，该方法包括以下步骤(1)至(3)。步骤(1)：将 N 端受保护的氨基酸或 N 端受保护的肽与羧酸卤化物或卤代烷基甲酸酯混合的步骤； 步骤(2)：将 N 端和 C 端未受保护的氨基酸或肽与三烷基硅烷化剂混合的步骤；以及 步骤(3)：将步骤(1)中得到的产物与步骤(2)中得到的产物混合的步骤。
• STANKEVICH A. I.; ZYATKOV I. P.; LAZAREVA A. M.; ELNITSKIJ A. P., ZH. ORGAN. XIMII, 1980, 16, HO 9, 1823-1829
  作者：STANKEVICH A. I.、 ZYATKOV I. P.、 LAZAREVA A. M.、 ELNITSKIJ A. P.

  DOI：——

  日期：——
• ANTIVIRAL TETRAHYDROIMIDAZO 1,4]BENZODIAZEPINES
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP0491751A1

  公开（公告）日：1992-07-01
• [EN] ANTIVIRAL TETRAHYDROIMIDAZO(1,4)BENZODIAZEPINES
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：WO1991004255A1

  公开（公告）日：1991-04-04

  (EN) Tetrahydroimidazo[1,4]benzodiazepines of formula (I), wherein R1 is C1-6alkyl optionally substituted with aryl; C3-6alkynyl; C3-6cycloalkyl; or a radical of formula (a); (b); (c) or -Alk-S(O)m-R15; R2, R3 and R7 are hydrogen or C1-6alkyl; R4 and R5 are hydrogen, C1-6alkyl, halo, cyano, nitro, trifluoromethyl, hydroxy, C1-6alkyloxy, amino, mono- or di(C1-6alkyl)amino, (C1-6alkyl or aryl)carbonylamino; R6 is C1-6alkyl; and X is OH, SH or NR16R17; the acid addition salts and stereochemically isomeric forms thereof; said compounds having antiretroviral activity. Pharmaceutical compositions comprising said compounds as active ingredient and methods of preparing said compounds and pharmaceutical compositions.(FR) Tétrahydroimidazo[1,4]benzodiazépines dont la formule est (I), où R1 est alkyle C1-6 éventuellement substitué par aryle; alkynyle C3-6; cycloalkyle C3-6; ou un radical dont la formule est (a); (b); (c) ou -Alk-S(O)m-R15; R2, R3 et R7 sont hydrogène ou alkyle C1-6; R4 et R5 sont hydrogène, alkyle C1-6, halo, cyano, nitro, trifluorométhyle, hydroxy, alkyloxy C1-6, amino, mono- ou di(alkyle C1-6)amino, (aryle ou alkyle C1-6)-carbonylamino; R6 est alkyle C1-6; et X est OH, SH ou NR16R17; leurs sels d'addition d'acide et leurs formes stéréochimiquement isomériques; lesdits composés présentant une activité antirétrovirale. Compositions pharmaceutiques comprenant lesdits composés comme principe actif et procédés de préparation desdits composés et desdites compositions pharmaceutiques.