n-Caproyl-DL-leucin | 133906-92-0

• 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: n-Caproyl-DL-leucin
• 英文别名: N-Hexanoyl-DL-leucin；N-cyclohexanoylleucine；n-Hexanoyl-dl-leucine；2-(hexanoylamino)-4-methylpentanoic acid
• CAS: 133906-92-0
• 化学式: C₁₂H₂₃NO₃
• mdl: MFCD11183443
• 分子量: 229.32
• InChiKey: AGYKPEGQFMCGNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  16
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  己酰氯 、 DL-亮氨酸 在 sodium hydroxide 作用下， 生成 n-Caproyl-DL-leucin
  参考文献：
  名称：

  Bayer,H.O. et al., Chemische Berichte, 1970, vol. 103, p. 2356 - 2367

  摘要：

  DOI：

文献信息

• Flavour Modifying Compounds
  申请人：Givaudan S. A.

  公开号：US20140127144A1

  公开（公告）日：2014-05-08

  A compound of formula (I) is used to modify the taste or flavour of a flavour composition or consumable product, wherein R 1 is H, or a substituted, unsubstituted, branched or unbranched C 1 -C 5 alkyl group and, NHR 2 is a residue of an amino acid, is selected from Alanine (Ala), cysteine (Cys), Aspartic acid (Asp), phenylalanine (Phe), glutamic acid (Glu), histidine (His), isoleucine (Ile), lysine (Lys), leucine (Leu), methionine (Met), asparagines (Asn), glutamine (Gln), arginine (Arg), serine (Ser), theronine (Thr), valine (Val), tryptophan (Trp), tyrosine(Tyr) and Glycine (Gly), with the proviso that the compound is not N-acetyl glycine. Also disclosed are flavour compositions and consumable products containing such compounds.

  化合物的化学式（I）用于改变风味组合物或可食用产品的味道或风味，其中R1是H，或者是取代的、未取代的、支链的或非支链的C1-C5烷基基团，NHR2是氨基酸残基，选自丙氨酸（Ala）、半胱氨酸（Cys）、天冬氨酸（Asp）、苯丙氨酸（Phe）、谷氨酸（Glu）、组氨酸（His）、异亮氨酸（Ile）、赖氨酸（Lys）、亮氨酸（Leu）、蛋氨酸（Met）、天冬酰胺（Asn）、谷氨酰胺（Gln）、精氨酸（Arg）、丝氨酸（Ser）、苏氨酸（Thr）、缬氨酸（Val）、色氨酸（Trp）、酪氨酸（Tyr）和甘氨酸（Gly），但该化合物不是N-乙酰甘氨酸。还公开了含有这种化合物的风味组合物和可食用产品。
• AN ENZYME-CATALYZED PROCESS FOR PREPARING N-ACYL AMINO ACIDS AND N-ACYL AMINO ACID AMIDES
  申请人：NOVO NORDISK A/S

  公开号：EP0473700A1

  公开（公告）日：1992-03-11
• FLAVOUR MODIFYING COMPOUNDS
  申请人：Givaudan SA

  公开号：EP2731453A1

  公开（公告）日：2014-05-21
• [EN] AN ENZYME-CATALYZED PROCESS FOR PREPARING N-ACYL AMINO ACIDS AND N-ACYL AMINO ACID AMIDES
  申请人：NOVO NORDISK A/S

  公开号：WO1990014429A1

  公开（公告）日：1990-11-29

  (EN) Compounds of general formula (I) or (II), wherein R is an optionally substituted alkyl group with 3-23 carbon atoms, and R1 is hydrogen or an optionally substituted branched or straight-chain, saturated or unsaturated, aliphatic or aromatic hydrocarbon group, are prepared by reacting a compound of the general formula (III): RCOOR2, wherein R2 is H or an alkyl group with 1-6 carbon atoms, and R is as defined above, with a compound of general formula (IV), wherein R1 is as defined above, in the presence of an enzyme capable of catalysing the formation of amide bonds, in particular a lipase. The amide group may be removed from the compound (I) by means of a second enzyme capable of selectively cleaving amide bonds, e.g. a carboxypeptidase, resulting in the compound (II).(FR) Des composés de formule générale (I) ou (II), où R est un groupe alcoyle substitué ou non ayant 3-23 atomes de carbone et R1 est l'hydrogène ou un groupe substitué ou non, à chaîne linéaire ou ramifiée d'hydrocarbures aliphatiques ou aromatiques, saturés ou non saturés, sont préparés en faisant réagir un composé de formule générale (II) où R2 est H ou un groupe alcoyle ayant 1-6 atomes de carbone et R correspond à la définition ce-dessus, avec un composé de formule générale (IV) où R est comme défini ci-dessus, en présence d'une enzyme pouvant catalyser la formation de liaisons d'amides, en particulier, une lipase. On peut extraire le groupe amide présent dans le composé (I) à l'aide d'une deuxième enzyme pouvant cliver les liaisons d'amides, par exemple, une carboxypeptidase, ainsi réalisant le composé (II).
• [EN] FLAVOUR MODIFYING COMPOUNDS<br/>[FR] COMPOSÉS MODIFIANT LA SAVEUR
  申请人：GIVAUDAN SA

  公开号：WO2013010991A1

  公开（公告）日：2013-01-24

  Use of a compound of formula (1) to modify the taste or flavour of a flavour composition or consumable product, wherein R1 is H, or a substituted, unsubstituted, branched or unbranched C1-C5 alkyl group and, NHR2 is a residue of an amino acid, is selected from Alanine (Ala), cysteine (Cys), Aspartic acid (Asp), phenylalanine (Phc), glutamic acid (GIu), histidine (His), isoleucine (He), lysine (Lys), leucine (Leu), methionine (Met), asparagines (Asn), glutamine (Gin), arginine (Arg), serine (Ser), theronine (Thr), valine (Val), tryptophan (Trp), tyrosine(Tyr) and Glycine (Gly), with the proviso that the compound is not N-acetyl glycine. Also disclosed are flavour compositions and consumable products comprising such compounds.

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