2-(4-isobutyl-2-methyl phenyl) propanal

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-(4-isobutyl-2-methyl phenyl) propanal
• 英文别名: 2-[2-Methyl-4-(2-methylpropyl)phenyl]propanal；2-[2-methyl-4-(2-methylpropyl)phenyl]propanal
• 化学式: C₁₄H₂₀O
• 分子量: 204.312
• InChiKey: MYNREBSUQMFNPF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

文献信息

• [EN] PHENYL BASED COMPOUNDS SUBSTITUTED WITH ALDEHYDE MOIETIES AND THEIR USE IN PERFUMERY<br/>[FR] COMPOSÉS À BASE DE PHÉNYLE SUBSTITUÉS PAR DES FRACTIONS ALDÉHYDE ET LEUR UTILISATION EN PARFUMERIE
  申请人：GIVAUDAN SA

  公开号：WO2016074865A1

  公开（公告）日：2016-05-19

  A compound represented by the formula 1, wherein R1 is H, or when R2 and R3 is H, then R1 is CHR5CHR6CHO, CR5=CR6CHO or C(CH3)CHO, wherein R5, R6 each independently may represent H or methyl; R2 is H, or when R1 and R3 is H, then R2 is CHR5CHR6CHO, CR5=CR6CHO or C(CH3)CHO, wherein R5, R6 each independently may represent H or methyl; R3 is H, or when R1 and R2 is H, then R3 is CHR5CHR6CHO, CR5=CR6CHO or C(CH3)CHO, wherein R5, R6 each independently may represent H or methyl; and R4 is methyl or a branched or linear, saturated or unsaturated, unsubstituted or substituted (optionally with cyclopropyl groups), C2-C7 alkyl or alkenyl residue, preferentially isobutyl, isoamyl. Said compounds are useful as perfume ingredients in personal care and household care products.

  化合物的结构式为1，其中R1为H，或者当R2和R3为H时，R1为CHR5CHR6CHO，CR5=CR6CHO或C(CH3)CHO，其中R5，R6各自独立地可能代表H或甲基；R2为H，或者当R1和R3为H时，R2为CHR5CHR6CHO，CR5=CR6CHO或C( )CHO，其中R5，R6各自独立地可能代表H或甲基；R3为H，或者当R1和R2为H时，R3为CHR5CHR6CHO，CR5=CR6CHO或C( )CHO，其中R5，R6各自独立地可能代表H或甲基；R4为甲基或支链或直链、饱和或不饱和、未取代或取代（可选地带环丙基基团）、C2-C7烷基或烯基残基，优选异丁基，异戊基。所述化合物可用作个人护理和家用护理产品中的香料成分。
• Phenyl based compounds substituted with aldehyde moieties and their use in perfumery
  申请人：GIVAUDAN SA

  公开号：US10443018B2

  公开（公告）日：2019-10-15

  A compound represented by the formula 1 wherein R1 is H, or when R2 and R3 is H, then R1 is CHR5CHR6CHO, CR5═CR6CHO or C(CH3)CHO, wherein R5, R6 each independently may represent H or methyl; R2 is H, or when R1 and R3 is H, then R2 is CHR5CHR6CHO, CR5═CR6CHO or C(CH3)CHO, wherein R5, R6 each independently may represent H or methyl; R3 is H, or when R1 and R2 is H, then R3 is CHR5CHR6CHO, CR5═CR6CHO or C(CH3)CHO, wherein R5, R6 each independently may represent H or methyl; and R4 is methyl or a branched or linear, saturated or unsaturated, unsubstituted or substituted (optionally with cyclopropyl groups), C2-C7 alkyl or alkenyl residue, preferentially isobutyl, isoamyl. Said compounds are useful as perfume ingredients in personal care and household care products.

  式 1 所代表的化合物 其中 R1 是 H，或者当 R2 和 R3 是 H 时，R1 是 CHR5CHR6CHO、CR5═CR6CHO 或 C(CH3)CHO，其中 R5、R6 可各自独立地代表 H 或甲基； R2 是 H，或者当 R1 和 R3 是 H 时，R2 是 CHR5CHR6CHO、CR5═CR6CHO 或 C( )CHO，其中 R5、R6 可各自独立地代表 H 或甲基； R3 是 H，或者当 R1 和 R2 是 H 时，R3 是 CHR5CHR6CHO、CR5═CR6CHO 或 C( )CHO，其中 R5、R6 可各自独立地代表 H 或甲基；以及 R4 是甲基或支链或线性、饱和或不饱和、未取代或取代（可选择使用环丙基）的 C2-C7 烷基或烯基残基，最好是异丁基、异戊基。 上述化合物可用作个人护理和家庭护理产品中的香水成分。
• Process of forming 2-(4-isobutyl-2-methylphenyl) propanal
  申请人：GIVAUDAN SA

  公开号：US10760033B2

  公开（公告）日：2020-09-01

  The regio-selective functionalization of a dialkyl benzene compound wherein the ratio of the compound functionalized at position (a) to the compound functionalized at the position (b) is at least 70:30, more particularly at least 80:20, still more particularly at least 85:15, and still more particularly at least 90:10, characterised in that the substituent R is an isobutyl group.

  二烷基苯化合物的区域选择性官能化 其中在(a)位上官能化的化合物与在(b)位上官能化的化合物的比例至少为 70:30，更特别的是至少为 80:20，更特别的是至少为 85:15，更特别的是至少为 90:10，其特征在于取代基 R 是异丁基。
• PHENYL BASED COMPOUNDS SUBSTITUTED WITH ALDEHYDE MOIETIES AND THEIR USE IN PERFUMERY
  申请人：Givaudan S.A.

  公开号：EP3218341A1

  公开（公告）日：2017-09-20
• Phenyl Based Compounds Substituted with Aldehyde Moieties and their Use in Perfumery
  申请人：GIVAUDAN SA

  公开号：US20170298291A1

  公开（公告）日：2017-10-19

  A compound represented by the formula 1 wherein R 1 is H, or when R 2 and R 3 is H, then R 1 is CHR 5 CHR 6 CHO, CR 5 ═CR 6 CHO or C(CH 3 )CHO, wherein R 5 , R 6 each independently may represent H or methyl; R 2 is H, or when R 1 and R 3 is H, then R 2 is CHR 5 CHR 6 CHO, CR 5 ═CR 6 CHO or C(CH 3 )CHO, wherein R 5 , R 6 each independently may represent H or methyl; R 3 is H, or when R 1 and R 2 is H, then R 3 is CHR 5 CHR 6 CHO, CR 5 ═CR 6 CHO or C(CH 3 )CHO, wherein R 5 , R 6 each independently may represent H or methyl; and R 4 is methyl or a branched or linear, saturated or unsaturated, unsubstituted or substituted (optionally with cyclopropyl groups), C 2 -C 7 alkyl or alkenyl residue, preferentially isobutyl, isoamyl. Said compounds are useful as perfume ingredients in personal care and household care products.