1-t-butyloxycarbonyl-1,3-dicyclohexyl-O-(N-2-butylideneamino)-isourea | 1254204-69-7

• 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: 1-t-butyloxycarbonyl-1,3-dicyclohexyl-O-(N-2-butylideneamino)-isourea
• 英文别名: 1-t-Butyloxycarbonyl-1,3-dicyclohexyl-O-(N-2-butylideneamino)-isourea；tert-butyl N-[C-(butan-2-ylideneamino)oxy-N-cyclohexylcarbonimidoyl]-N-cyclohexylcarbamate
• CAS: 1254204-69-7
• 化学式: C₂₂H₃₉N₃O₃
• 分子量: 393.57
• InChiKey: BCMMRFTUQBGRDW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  28
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  63.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1,3-Dicyclohexyl-O-(N-2-butylideneamino)-isourea 、 二碳酸二叔丁酯 在 4-二甲氨基吡啶 silica gel 作用下， 以 二氯甲烷 、 甲醇 为溶剂， 反应 48.0h， 以to afford 5.3 g of the title compound as a colorless oil的产率得到1-t-butyloxycarbonyl-1,3-dicyclohexyl-O-(N-2-butylideneamino)-isourea
  参考文献：
  名称：

  O-IMINO-ISO-UREA COMPOUNDS AND POLYMERIZABLE COMPOSITIONS THEREOF

  摘要：

  本发明涉及将O-亚胺异脲化合物用作自由基的来源，所述自由基可用于包含这些O-亚胺异脲化合物的可聚合组合物，并涉及新的O-亚胺异脲化合物。O-亚胺异脲化合物是化合物(I)的化合物，其中n为1、2、3或4，R100和R101独立地为H、C1-18烷基、C3-C12环烷基、C6-C14芳基、C1-C14杂芳基、C7-C15芳基烷基、C2-C14杂芳基、氰基，或R100和R101与它们所连接的碳共同形成一个单环或多环的C3-C18碳环烷基或C1-C18杂环烷基；R102和R103独立地为C1-C18烷基、C3-C12环烷基、C6-C14芳基、C6-C14芳基经过一次或多次取代的C1-C18烷基；C7-C15芳基烷基、(CH3)3Si—；或R102和R103为C1-C18烷基、C3-C12环烷基、C6-C14芳基、C7-C15芳基烷基，或者R102和R103为C1-C18烷基、C3-C12环烷基，其中通过O或N含有的C1-C18烷基氨基、双(C1-C18烷基)氨基或三(C1-C18烷基)铵基中断或取代；如果n为1，则R104为H、C1-C18烷基、C3-C12环烷基、C7-C14芳基烷基、C6-C14芳基或从以下酰基中选择的酰基，所述酰基包括以下酰基：—C(═O)—H、—C(═O)—C1-C18烷基、—C(═O)—C2-d18烯基、—C(═O)—C6-C14芳基、—C(═O)—C2-C18烯基-C6-C14芳基、—C(═O)—O—C1C18烷基、—C(═O)—O—C6-C14芳基、—C(═O)—NH—C1-C18烷基、—C(═O)—NH—C6-C14芳基和—C(═O)—N(C1C18烷基)2；或者如果n为1，则R102和R104与它们所连接的氮原子共同形成一个5到12个成员的环，该环可以含有额外的杂原子；如果n大于1，则R104为二、三、四个C1-C18烷基亚甲基，二酰基、三酰基或四酰基及其盐。

  公开号：

  US20120108696A1

文献信息

• [EN] O-IMINO-ISO-UREA COMPOUNDS AND POLYMERIZABLE COMPOSITIONS THEREOF<br/>[FR] COMPOSÉS DE O-IMINO-ISO-URÉE ET LEURS COMPOSITIONS POLYMÉRISABLES
  申请人：BASF SE

  公开号：WO2010128062A1

  公开（公告）日：2010-11-11

  The invention relates to the use of O-imino-iso-urea compounds as source of radicals to polymerizable compositions comprising these O-imino-iso-urea and to new O-imino-iso-urea compounds. The O-lmino-isoureas compounds are compounds of the Formula (I), wherein n is 1, 2, 3 or 4, R100and R101 are independently H, C1-18 alkyl, C3-C12cycloalkyl, C6-C14aryl, C1-C14heteroaryl, C7-C15aralkyl, C2-C14heteroaralkyl, Cyano, or R100 and R101 form together with the carbon to which they are attached a mono or polycyclic C3-C18 carbocyclic or C1-C18 heterocyclic ring; R102 and R103 are independently C1-C18alkyl, C3-C12cycloalkyl, C6-C14aryl, C6-C14aryl once or more than once substituted by C1-C18alkyl; C7-C15aralkyl, (CH3)3Si-; or R102 and R103 are C1-C18alkyl, C3-C12cycloalkyl, C6-C14aryl, C7-C15aralkyl or R102 and R103 are C1-C18alkyl, C3-C12cycloalkyl which are interrupted or substituted by O or by N containing groups selected from C1-C18alkylamino, bis(C1-C18alkyl)amino or tris(C1-C1talkyl)ammonium; R104 if n is 1 is is H, C1-C18alkyl, C3-C12cycloalkyl, C7-C14aralkyl, C6-C14aryl or acyl selected from the group consisting of the following acyls -C(=O)-H, -C(=O)-C1-C18alkyl, -C(=O)-C2-d18alkenyl, -C(=O)-C6-C14aryl, -C(=O)-C2-C18alkenyl-C6-C14aryl, -C(=O)-O-C1C18alkyl, -C(=O)-O-C6-C14aryl, -C(=O)-NH-C1-C18alkyl, -C(=O)-NH-C6-C14aryl and -C(=O)-N(C1C18alkyl)2; or R102 and R104 if n is 1 form together with the nitrogen atom to which they are attached a 5 to 12 membered ring which may contain additional heteroatoms, R104 if n is more than 1 is di-, tri-, tetra-C1-C18alkylidene, diacyls, triacyls or tetraacyls and salts thereof.

  该发明涉及将O-亚亚胺基-异脲化合物用作自由基的来源，用于包括这些O-亚亚胺基-异脲化合物的聚合物组合物，以及新的O-亚亚胺基-异脲化合物。O-亚亚胺基-异脲化合物是具有以下式（I）的化合物，其中n为1、2、3或4，R100和R101独立地为H、C1-18烷基、C3-C12环烷基、C6-C14芳基、C1-C14杂芳基、C7-C15芳基烷基、C2-C14杂芳基烷基、氰基，或R100和R101与它们连接的碳共同形成一个单环或多环的C3-C18碳环或C1-C18杂环；R102和R103独立地为C1-C18烷基、C3-C12环烷基、C6-C14芳基、C6-C14芳基，或被C1-C18烷基取代一次或多次，C7-C15芳基烷基，（CH3）3Si-；或者R102和R103为C1-C18烷基、C3-C12环烷基、C6-C14芳基、C7-C15芳基烷基，或者R102和R103为被O或N含基团中断或取代的C1-C18烷基胺基、双（C1-C18烷基）胺基或三（C1-C1talkyl）铵；如果n为1，则R104为H、C1-C18烷基、C3-C12环烷基、C7-C14芳基烷基、C6-C14芳基或从以下酰基中选择的酰基 -C（=O）-H、-C（=O）-C1-C18烷基、-C（=O）-C2-d18烯基、-C（=O）-C6-C14芳基、-C（=O）-C2-C18烯基-C6-C14芳基、-C（=O）-O-C1C18烷基、-C（=O）-O-C6-C14芳基、-C（=O）-NH-C1-C18烷基、-C（=O）-NH-C6-C14芳基和-C（=O）-N（C1C18烷基）2；或者如果n为1，则R102和R104共同与它们连接的氮原子形成一个含有额外杂原子的5至12元环；如果n大于1，则R104为二、三、四个C1-C18烷基亚甲基、二酰基、三酰基或四酰基及其盐。
• O-imino-iso-urea compounds and polymerizable compositions thereof
  申请人：Nesvadba Peter

  公开号：US08664288B2

  公开（公告）日：2014-03-04

  The invention relates to the use of O-imino-iso-urea compounds as source of radicals to polymerizable compositions comprising these O-imino-iso-urea and to new O-imino-iso-urea compounds. The O-lmino-isoureas compounds are compounds of the Formula (I), wherein n is 1, 2, 3 or 4, R100 and R101 are independently H, C1-18 alkyl, C3-C12cycloalkyl, C6-C14aryl, C1-C14heteroaryl, C7-C15aralkyl, C2-C14heteroaralkyl, Cyano, or R100 and R101 form together with the carbon to which they are attached a mono or polycyclic C3-C18 carbocyclic or C1-C18 heterocyclic ring; R102 and R103 are independently C1-C18alkyl, C3-C12cycloalkyl, C6-C14aryl, C6-C14aryl once or more than once substituted by C1-C18alkyl; C7-C15aralkyl, (CH3)3Si—; or R102 and R103 are C1-C18alkyl, C3-C12cycloalkyl, C6-C14aryl, C7-C15aralkyl or R102 and R103 are C1-C18alkyl, C3-C12cycloalkyl which are interrupted or substituted by O or by N containing groups selected from C1-C18alkylamino, bis(C1-C18alkyl)amino or tris(C1-C18alkyl)ammonium; R104 if n is 1 is H, C1-C18alkyl, C3-C12cycloalkyl, C7-C14aralkyl, C6-C14aryl or acyl selected from the group consisting of the following acyls —C(═O)—H, —C(═O)—C1-C18alkyl, —C(═O)—C2-d18alkenyl, —C(═O)—C6-C14aryl, —C(═O)—C2-C18alkenyl-C6-C14aryl, —C(═O)—O—C1C18alkyl, —C(═O)—O—C6-C14aryl, —C(═O)—NH—C1-C18alkyl, —C(═O)—NH—C6-C14aryl and —C(═O)—N(C1C18alkyl)2; or R102 and R104 if n is 1 form together with the nitrogen atom to which they are attached a 5 to 12 membered ring which may contain additional heteroatoms, R104 if n is more than 1 is di-, tri-, tetra-C1-C18alkylidene, diacyls, triacyls or tetraacyls and salts thereof.

  本发明涉及将O-亚氨基异脲化合物用作自由基的来源，用于包含这些O-亚氨基异脲和新的O-亚氨基异脲化合物的聚合物组合物中。O-亚氨基异脲化合物是式（I）的化合物，其中n为1、2、3或4，R100和R101分别为H、C1-18烷基、C3-C12环烷基、C6-C14芳基、C1-C14杂芳基、C7-C15芳基烷基、C2-C14杂芳基烷基、氰基，或者R100和R101与它们连接的碳一起形成一个单环或多环的C3-C18碳环或C1-C18杂环；R102和R103分别为C1-C18烷基、C3-C12环烷基、C6-C14芳基、C6-C14芳基一次或多次被C1-C18烷基取代、C7-C15芳基烷基、(CH3)3Si-；或者R102和R103为C1-C18烷基、C3-C12环烷基、C6-C14芳基、C7-C15芳基烷基，或者R102和R103为C1-C18烷基、C3-C12环烷基，其中被O或N含有基团所取代或打断，所述基团选择自C1-C18烷基氨基、双(C1-C18烷基)氨基或三(C1-C18烷基)铵；如果n为1，则R104为H、C1-C18烷基、C3-C12环烷基、C7-C14芳基烷基、C6-C14芳基或酰基，所述酰基选择自以下酰基：—C(═O)—H、—C(═O)—C1-C18烷基、—C(═O)—C2-d18烯基、—C(═O)—C6-C14芳基、—C(═O)—C2-C18烯基-C6-C14芳基、—C(═O)—O—C1C18烷基、—C(═O)—O—C6-C14芳基、—C(═O)—NH—C1-C18烷基、—C(═O)—NH—C6-C14芳基和—C(═O)—N(C1C18烷基)2；或者如果n为1，则R102和R104与它们连接的氮原子一起形成一个5到12个成员的环，该环可以包含其他杂原子；如果n大于1，则R104为二元、三元、四元C1-C18烷基亚烷基、二酰基、三酰基或四酰基及其盐。
• O-IMINO-ISO-UREA COMPOUNDS AND POLYMERIZABLE COMPOSITIONS THEREOF
  申请人：Nesvadba Peter

  公开号：US20120108696A1

  公开（公告）日：2012-05-03

  The invention relates to the use of O-imino-iso-urea compounds as source of radicals to polymerizable compositions comprising these O-imino-iso-urea and to new O-imino-iso-urea compounds. The O-lmino-isoureas compounds are compounds of the Formula (I), wherein n is 1, 2, 3 or 4, R 100 and R 101 are independently H, C 1-18 alkyl, C 3 -C 12 cycloalkyl, C 6 -C 14 aryl, C 1 -C 14 heteroaryl, C 7 -C 15 aralkyl, C 2 -C 14 heteroaralkyl, Cyano, or R 100 and R 101 form together with the carbon to which they are attached a mono or polycyclic C 3 -C 18 carbocyclic or C 1 -C 18 heterocyclic ring; R 102 and R 103 are independently C 1 -C 18 alkyl, C 3 -C 12 cycloalkyl, C 6 -C 14 aryl, C 6 -C 14 aryl once or more than once substituted by C 1 -C 18 alkyl; C 7 -C 15 aralkyl, (CH 3 ) 3 Si—; or R 102 and R 103 are C 1 -C 18 alkyl, C 3 -C 12 cycloalkyl, C 6 -C 14 aryl, C 7 -C 15 aralkyl or R 102 and R 103 are C 1 -C 18 alkyl, C 3 -C 12 cycloalkyl which are interrupted or substituted by O or by N containing groups selected from C 1 -C 18 alkylamino, bis(C 1 -C 18 alkyl)amino or tris(C 1 -C 18 alkyl)ammonium; R 104 if n is 1 is H, C 1 -C 18 alkyl, C 3 -C 12 cycloalkyl, C 7 -C 14 aralkyl, C 6 -C 14 aryl or acyl selected from the group consisting of the following acyls —C(═O)—H, —C(═O)—C 1 -C 18 alkyl, —C(═O)—C 2 -d 18 alkenyl, —C(═O)—C 6 -C 14 aryl, —C(═O)—C 2 -C 18 alkenyl-C 6 -C 14 aryl, —C(═O)—O—C 1 C 18 alkyl, —C(═O)—O—C 6 -C 14 aryl, —C(═O)—NH—C 1 -C 18 alkyl, —C(═O)—NH—C 6 -C 14 aryl and —C(═O)—N(C 1 C 18 alkyl) 2 ; or R 102 and R 104 if n is 1 form together with the nitrogen atom to which they are attached a 5 to 12 membered ring which may contain additional heteroatoms, R 104 if n is more than 1 is di-, tri-, tetra-C 1 -C 18 alkylidene, diacyls, triacyls or tetraacyls and salts thereof.

  本发明涉及将O-亚胺异脲化合物用作自由基的来源，所述自由基可用于包含这些O-亚胺异脲化合物的可聚合组合物，并涉及新的O-亚胺异脲化合物。O-亚胺异脲化合物是化合物(I)的化合物，其中n为1、2、3或4，R100和R101独立地为H、C1-18烷基、C3-C12环烷基、C6-C14芳基、C1-C14杂芳基、C7-C15芳基烷基、C2-C14杂芳基、氰基，或R100和R101与它们所连接的碳共同形成一个单环或多环的C3-C18碳环烷基或C1-C18杂环烷基；R102和R103独立地为C1-C18烷基、C3-C12环烷基、C6-C14芳基、C6-C14芳基经过一次或多次取代的C1-C18烷基；C7-C15芳基烷基、(CH3)3Si—；或R102和R103为C1-C18烷基、C3-C12环烷基、C6-C14芳基、C7-C15芳基烷基，或者R102和R103为C1-C18烷基、C3-C12环烷基，其中通过O或N含有的C1-C18烷基氨基、双(C1-C18烷基)氨基或三(C1-C18烷基)铵基中断或取代；如果n为1，则R104为H、C1-C18烷基、C3-C12环烷基、C7-C14芳基烷基、C6-C14芳基或从以下酰基中选择的酰基，所述酰基包括以下酰基：—C(═O)—H、—C(═O)—C1-C18烷基、—C(═O)—C2-d18烯基、—C(═O)—C6-C14芳基、—C(═O)—C2-C18烯基-C6-C14芳基、—C(═O)—O—C1C18烷基、—C(═O)—O—C6-C14芳基、—C(═O)—NH—C1-C18烷基、—C(═O)—NH—C6-C14芳基和—C(═O)—N(C1C18烷基)2；或者如果n为1，则R102和R104与它们所连接的氮原子共同形成一个5到12个成员的环，该环可以含有额外的杂原子；如果n大于1，则R104为二、三、四个C1-C18烷基亚甲基，二酰基、三酰基或四酰基及其盐。