benzyl (RS)-(1-oxo-1-(p-tolylamino)propan-2-yl)carbamate | 102016-68-2

• 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
• 英文名称: benzyl (RS)-(1-oxo-1-(p-tolylamino)propan-2-yl)carbamate
• 英文别名: N-benzyloxycarbonyl-alanine p-toluidide；N-Benzyloxycarbonyl-alanin-p-toluidid；benzyl N-[1-(4-methylanilino)-1-oxopropan-2-yl]carbamate
• CAS: 102016-68-2
• 化学式: C₁₈H₂₀N₂O₃
• 分子量: 312.368
• InChiKey: KXJOVVRCBWYFPW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  67.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  benzyl (RS)-(1-oxo-1-(p-tolylamino)propan-2-yl)carbamate 在 氢溴酸 、 溶剂黄146 作用下， 生成 alanine p-toluidide; hydrobromide
  参考文献：
  名称：

  Toward Efficient Analysis of Mutations in Single Cells from Ethanol-Fixed, Paraffin-Embedded, and Immunohistochemically Stained Tissues

  摘要：

  only a few studies have demonstrated successful molecular analysis after whole genome amplification using single cells dissected from paraffin-embedded tissues. The results in these studies were limited by low-amplification efficiency and high rates of allele dropout. In the present study, the amplification rate using a thoroughly modified primer extension and preamplification-PCR protocol was improved significantly for single cells microdissected from paraffin-embedded and immunohistochemically stained tissues. Tissue fixation with ethanol (85%) and the addition of 0.2 mmol/L EDTA helped to achieve an amplification rate between 67% (segments 200 to 400 bp) and 72% (segments <200 bp). Normal tissue sections were immunohistochemically double stained for overabundance of p53 protein and proliferating cell nuclear antigen. Microdissection of single cells was performed with a manual micromanipulator equipped with a Tungsten needle. Sequence analysis of the TP53 gene was performed after improved primer extension preamplification-PCR and multiplex PCR from single microdissected cells. The rate of allele dropout was at least 68%. These technical advances facilitate routine mutation analysis using a single cell or a few cells microdissected from routinely processed paraffin-embedded normal and tumor tissues. Allele dropout still represents a serious problem in single-cell mutation analysis, especially in samples with limited template DNA and prone to DNA damage.

  DOI：

  10.1038/labinvest.3780437
• 作为产物：
  描述：

  乙烷,三氯氟- 、 benzyl N-[2-(1H-1,2,3-benzotriazol-1-yl)-1-methyl-2-oxoethyl]carbamate 以 水 为溶剂， 反应 0.25h， 以92%的产率得到benzyl (RS)-(1-oxo-1-(p-tolylamino)propan-2-yl)carbamate
  参考文献：
  名称：

  一种使用苯并三唑化学对水中胺进行 N-酰化的高效绿色方法

  摘要：

  使用通用的苯并三唑化学完成了在水中直接、温和且经济高效地合成各种芳基酰胺。在室温下以及在微波辐射下，在水中实现了各种胺的酰化。开发的协议展开了氨基酸芳基酰胺、药物偶联物和苯并咪唑的合成。环保合成、反应时间短、后处理简单、收率高、条件温和、无外消旋化是该协议的主要优点。

  DOI：

  10.3390/molecules25112501

文献信息

• Charged sophorolipids and sophorolipid containing compounds
  申请人：Zerkowski Jonathan

  公开号：US20070027106A1

  公开（公告）日：2007-02-01

  A sophorolid produced by a method involving reacting a compound of formula I with a compound of formula II wherein R 1 and R 2 are H, C 1 -C 18 alkyl, C 3 -C 18 alkenyl, C 3 -C 10 cycloalkyl, phenyl, or C 1 through C 18 acyl or alkoxycarbonyl, R 1 and R 2 are not both acyl, R 3 is H, CH 3 , CH 2 -phenyl, CH 2 —C 6 H 4 —OH, CH 2 CO 2 H, CH 2 CH 2 CO 2 H, CH(CH 3 ) 2 , CH 2 CH(CH 3 ) 2 , CH(CH 3 )CH 2 CH 3 , CH 2 OH, CH(CH 3 )OH, CH 2 CH 2 CH 2 CH 2 NH 2 , CH 2 CH 2 CONH 2 , CH 2 CONH 2 , CH 2 —C 3 N 2 H 3 (histidine), CH 2 CH 2 CH 2 NHC(NH)NH 2 , CH 2 CH 2 SCH 3 , R 2 and R 3 may be joined in a ring, R 4 is H, C 1 -C 18 alkyl, C 3 -C 18 alkenyl, C 3 -C 10 cycloalkyl, or phenyl, n is 0-6, R 5 and R 6 are H, C 1 -C 18 alkyl, C 3 -C 18 alkenyl, C 3 -C 10 cycloalkyl, or phenyl, and X is C 1 -C 18 alkyl or C 1 -C 18 alkenyl; optionally followed by acidolytic (treating with an acid) or hydrogenolytic deprotection (treating with a hydrogenolysis catalyst) which removes one of the groups R 1 or R 2 and replaces it with hydrogen. Also a sophorolipid containing composition containing a carrier and at least one sophorolipid described above.

  通过一种涉及将式I化合物与式II化合物反应的方法生产的一种索福罗脂，其中R1和R2为H、C1-C18烷基、C3-C18烯基、C3-C10环烷基、苯基或C1-C18酰基或烷氧羰基，R1和R2不同时为酰基，R3为H、CH3、CH2-苯基、 —C6H4—OH、 CO2H、 CO2H、CH( )2、 CH( )2、CH( ) 、 OH、CH( )OH、 NH2、 CONH2、 CONH2、 —C3N2H3（组氨酸）、 NHC(NH)NH2、 S ，R2和R3可连接成环，R4为H、C1-C18烷基、C3-C18烯基、C3-C10环烷基或苯基，n为0-6，R5和R6为H、C1-C18烷基、C3-C18烯基、C3-C10环烷基或苯基，X为C1-C18烷基或C1-C18烯基；可选择性地接着酸解（用酸处理）或氢解保护（用氢解催化剂处理），去除R1或R2中的一个基团，并用氢替换之。还有一种含有载体和上述至少一种索福罗脂的索福罗脂含有组合物。
• US7718782B2
  申请人：——

  公开号：US7718782B2

  公开（公告）日：2010-05-18