1-(chloromethyl)-2-isobutyl-4-methylbenzene | 68102-27-2

• 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: 1-(chloromethyl)-2-isobutyl-4-methylbenzene
• 英文别名: 2-Isobutyl-4-methylbenzylchlorid；1-(Chloromethyl)-4-methyl-2-(2-methylpropyl)benzene
• CAS: 68102-27-2
• 化学式: C₁₂H₁₇Cl
• 分子量: 196.72
• InChiKey: RNFLPUGCWAGIKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1-(chloromethyl)-2-isobutyl-4-methylbenzene 在 乌洛托品 、 水 作用下， 以 乙醇 为溶剂， 生成 2-isobutyl-4-methylbenzaldehyde
  参考文献：
  名称：

  Rao,A. et al., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1978, vol. 16, p. 381 - 384

  摘要：

  DOI：
• 作为产物：
  描述：

  2-methyl-1-(3-methylphenyl)propan-1-ol 在 sodium tetrahydroborate 、 三溴化磷 、 四氯化锡 作用下， 以 二硫化碳 、 二甲基亚砜 为溶剂， 生成 1-(chloromethyl)-2-isobutyl-4-methylbenzene
  参考文献：
  名称：

  Rao,A. et al., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1978, vol. 16, p. 381 - 384

  摘要：

  DOI：

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。
• RAO A.; CHAKRAVORTY K.; RAO R. R., INDIAN J. CHEM., 1978, B16, NO 5, 381-384
  作者：RAO A.、 CHAKRAVORTY K.、 RAO R. R.

  DOI：——

  日期：——
• 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.