ethyl cyano[1-(4-methylphenyl)-4(1H)-pyrimidinylidene]acetate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ethyl cyano[1-(4-methylphenyl)-4(1H)-pyrimidinylidene]acetate
• 英文别名: ethyl (2Z)-2-cyano-2-[1-(4-methylphenyl)pyrimidin-4-ylidene]acetate
• 化学式: C₁₆H₁₅N₃O₂
• 分子量: 281.314
• InChiKey: ZIJVAFAOGXCOHO-PFONDFGASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  65.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  乙烷,三氯氟- 、 2,4-Pentadienoic acid,2-cyano-5-(dimethylamino)-3-[[(dimethylamino)methylene]amino]-, ethylester 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成 ethyl cyano[1-(4-methylphenyl)-4(1H)-pyrimidinylidene]acetate
  参考文献：
  名称：

  [EN] MEROCYANINE DERIVATIVES
  [FR] DERIVES DE MEROCYANINE

  摘要：

  公开号：

  WO2006003094A3

文献信息

• COSMETIC COMPOSITIONS COMPRISING AN ESTER DERIVED FROM 4-CARBOXY-2-PYRROLIDINONE AND A MEROCYANIN SCREENING AGENT; USE OF SAID DERIVATIVE AS A SOLVENT FOR A MEROCYANIN SCREENING AGENT
  申请人：Richard Herve

  公开号：US20120269749A1

  公开（公告）日：2012-10-25

  The present invention relates to a composition comprising, in a cosmetically acceptable medium, at least one ester derived from 4-carboxy-2-pyrrolidinone, of formula (I) below: in which: R 1 denotes a linear or branched C 1 -C 20 alkyl radical, R 2 denotes a linear or branched C 1 -C 20 alkyl radical that may contain a C 5 -C 6 ring, the phenyl radical, the benzyl radical or the phenethyl radical, and at least one merocyanin-type UV screening agent. The present invention also relates to the use of at least one ester derived from 4-carboxy-2-pyrrolidinone, of formula (I), as defined above, in a composition comprising, in a cosmetically acceptable medium, at least one merocyanin-type UV screening agent, as a solvent for said merocyanin screening agent, in and/or as an agent for improving the solubility of said merocyanin screening agent in said composition or with the aim of improving the sun protection factor.

  本发明涉及一种组合物，该组合物在化妆上可接受的介质中包含至少一种来自4-羧基-2-吡咯烷酮的酯，其化学式（I）如下： 其中： R1表示线性或支链C1-C20烷基基团， R2表示线性或支链C1-C20烷基基团，可能包含C5-C6环，苯基基团，苄基基团或苯乙基基团， 以及至少一种美洛氰染料型UV筛选剂。 本发明还涉及使用上述定义的化学式（I）中的至少一种来自4-羧基-2-吡咯烷酮的酯，在化妆上可接受的介质中包含至少一种美洛氰染料型UV筛选剂的组合物中，作为上述美洛氰染料型筛选剂的溶剂，在/或作为改善上述美洛氰染料型筛选剂在该组合物中的溶解度或改善防晒系数的剂。
• Merocyanine Derivatives
  申请人：Wagner Barbara

  公开号：US20090010860A1

  公开（公告）日：2009-01-08

  Disclosed is the use of the compounds of formula wherein Q is —OH; —OR 7 ; —NH 2 ; —NHR 7 ; —NR 7 R 8 ; or —N═R 9 ; T is —COR 5 ; —CN; or —SO 2 —(C 6 -C 12 )aryl; R 1 is hydrogen; —OR 7 , —SR 7 ; —NHR 7 ; —NR 7 R 8 ; C 1 -C 22 alkyl; C 2 -C 12 Alkenyl; C 2 -C 12 alkinyl; C 3 -C 12 cycloalkyl; C 3 -C 12 cycloalkenyl; C 7 -C 12 aralkyl; C 1 -C 12 heteroalkyl, C 2 -C 11 heteroaralkyl; C 6 -C 10 aryl; or C 1 -C 9 heteroaryl; R 2 and R 3 independently from each other are C 1 -C 22 alkyl; C 2 -C 12 alkenyl; C 2 -C 12 alkinyl; C 3 -C 12 cycloalkyl, C 3 -C 12 cycloalkenyl; C 7 -C 12 aralkyl; C 1 -C 12 heteroalkyl; C 3 -C 12 cycloheteroalkyl; C 2 -C 11 heteroaralkyl, C 6 -C 10 aryl; or C 1 -C 9 heteroaryl; R 4 is cyano; COR 7 , COOR 7 ; CONH 2 ; CONHR 7 ; CONR 7 R 8 ; SO 2 (C 6 -C 12 )aryl, C 2 -C 12 alk-1-enyl; C 3 -C 12 cycloalk-1-enyl; C 2 -C 12 alk-1-inyl; C 2 -C 12 heteroalkyl, C 3 -C 5 heterocycloalkyl, C 6 -C 10 aryl; or C 1 -C 9 heteroaryl; R 5 is —COR 7 ; —COOR 7 ; —OR 7 ; —SR 7 , —NHR 7 , —NR 7 R 8 ; C 2 -C 12 alkyl; C 2 -C 12 alkenyl; C 2 -C 12 alkinyl; C 3 -C 12 cycloalkyl; C 3 -C 12 cycloalkenyl; C 7 -C 12 aralkyl; C 1 -C 12 alkylphenyl; C 1 -C 12 alkoxy-C 8 -C 10 aryl; C 1 -C 12 heteroalkyl; C 2 -C 11 heteroaralkyl; C 3 -C 12 cycloheteroalkyl; C 6 -C 10 aryl; C 1 -C 12 alkoxy-C 8 -C 10 aryl or C 1 -C 9 heteroaryl; R 6 , R 7 and R 8 independently from each other are hydrogen; C 1 -C 22 alkyl; C 2 -C 12 alkenyl; C 2 -C 12 alkinyl; C 3 -C 12 cycloalkyl; C 3 -C 12 cycloalkenyl; C 7 -C 12 aralkyl; C 1 -C 12 heteroalkyl; C 2 -C 11 heteroaralkyl; C 6 -C 10 aryl; o-C 6 -C 10 aryl; or C 1 -C 9 heteroaryl; R 9 is a (C 1 -C 6 )alkylidene radical; or R 1 and R 2 , R 1 and Q, R 1 and R 4 , R 1 and R 8 , R 2 and R 3 , R 3 and Q, R 6 and Q, T and Q, each independently, are linked together, so that 1, 2, 3 or 4 carbocyclic or N, O and/or S-heterocyclic rings are formed, wherein each of them, independently from each other, may be condensed with an aromatic or heteroaromatic ring, and/or more N-, O- and/or S-heterocycic rings, and each N atom in a N-heterocyclic ring may be substituted by C 1 -C 22 alkyl; and n is a number from 1 to 4; for protecting of human hair and skin against the damaging effect of UV radiation.
• MEROCYANINE DERIVATIVES
  申请人：Wagner Barbara

  公开号：US20100209466A1

  公开（公告）日：2010-08-19

  Disclosed is the use of merocyanine derivatives of formula Q is hydrogen; C 1 -C 22 alkyl; —OH; —OR 7 ; —NR 7 R 8 ; or —N═R 9 ; R 1 is hydrogen; C 1 -C 22 alkyl; —OR 7 , —SR 7 ; —NR 7 R 8 ; C 1 -C 22 alkyl; C 2 -C 12 alkenyl; C 2 -C 12 alkinyl; C 3 -C 12 cycloalkyl; C 3 -C 12 cycloalkenyl; C 7 -C 12 aralkyl; C 1 -C 12 heteroalkyl, C 2 -C 11 heteroaralkyl; C 6 -C 10 aryl; or C 1 -C 9 heteroaryl; R 4 is cyano; COR 7 , COOR 7 ; CONR 7 R 8 ; SO 2 (C 6 -C 12 )aryl; C 2 -C 12 alk-1-enyl; C 3 -C 12 cycloalk-1-enyl; C 2 -C 12 alk-1-inyl; C 2 -C 12 heteroalkyl; C 3 -C 5 heterocycloalkyl; C 6 -C 10 aryl; or C 1 -C 9 heteroaryl; R 5 is —COR 7 ; —COOR 7 ; —OR 7 ; —SR 7 , —NHR 7 , —NR 7 R 8 ; C 1 -C 22 alkyl; C 2 -C 12 alkenyl; C 2 -C 12 alkinyl; C 3 -C 12 cycloalkyl; C 3 -C 12 cycloalkenyl; C 7 -C 12 aralkyl; C 1 -C 12 alkylphenyl; C 1 -C 12 alkoxy-C 6 -C 10 aryl; C 1 -C 12 heteroalkyl; C 2 -C 11 heteroaralkyl; C 3 -C 12 cycloheteroalkyl; C 6 -C 10 aryl; C 1 -C 12 alkoxy-C 6 -C 10 aryl; or C 1 -C 9 heteroaryl; R 6 is hydrogen; C 1 -C 22 alkyl; C 1 -C 22 alkoxy; or COR 7 ; R 7 and R 8 independently from each other are hydrogen; C 1 -C 22 alkyl; C 2 -C 12 alkenyl; C 2 -C 12 alkinyl; C 3 -C 12 cycloalkyl; C 3 -C 12 cycloalkenyl; —(CH 2 ) t COOH; C 7 -C 12 aralkyl; C 1 -C 12 heteroalkyl; C 2 -C 11 heteroaralkyl; C 6 -C 10 aryl; C 1 -C 9 heteroaryl; Si—R 10 R 11 R 12 ; Si(OR 10 )(OR 11 )(OR 12 ); SiR 10 (OR 11 )(OR 12 ); SiR 10 R 11 (OR 12 ); —(CH 2 ) u —O—(CH 2 ) v —SiR 10 R 11 R 12 ; or a radical X-Sil; t, u and v, independently from each other are a number from 1 to 5; R 9 is a (C 1 -C 6 )alkylidene radical; R 10 , R 11 , R 12 independently form each other are C 1 -C 22 alkyl; X is a linker; for protecting of human hair and skin against the damaging effect of UV radiation.
• US7772242B2
  申请人：——

  公开号：US7772242B2

  公开（公告）日：2010-08-10
• US8044058B2
  申请人：——

  公开号：US8044058B2

  公开（公告）日：2011-10-25