D-Ala-O-nPr hydrochloride

• 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: D-Ala-O-nPr hydrochloride
• 英文别名: (R)-propyl 2-aminopropanoate hydrochloride；D-alanine 1-propyl ester hydrochloride；D-alanine n-propyl ester hydrochloride；d-Alanine n-propyl ester hydrochloride；propyl (2R)-2-aminopropanoate;hydrochloride
• 化学式: C₆H₁₃NO₂*ClH
• 分子量: 167.636
• InChiKey: OUVGTEGRZQSNTH-NUBCRITNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.71
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  52.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-苯甲酰基甘氨酸甲酯 、 D-Ala-O-nPr hydrochloride 在 papain 作用下， 以 二氧化碳 为溶剂， 35.0 ℃ 、8.11 MPa 条件下， 反应 6.0h， 以100%的产率得到Bz-Gly-D-Ala-O-nPr
  参考文献：
  名称：

  Enzymatic Reaction in Supercritical Fluid Carbon Dioxide Using Dry-Ice

  摘要：

  AbstractNew enzymatic reactions in supercritical fluid carbon dioxide catalyzed by lipases (PPL, Lipase MY, Candida cylindracea Lipase), and Proteases (subtilisin Carlsberg, subtilisin 8397, immobilized papain) with high efficiency and yields in a simple high pressure reactor using readily available dry‐ice have been developed.

  DOI：

  10.1002/jccs.199900091
• 作为产物：
  描述：

  丙醇 、 D-丙氨酸 在 氯化亚砜 作用下， 生成 D-Ala-O-nPr hydrochloride
  参考文献：
  名称：

  Synthesis and Secondary Structure of Poly(1-methylpropargyl-N-alkylcarbamate)s

  摘要：

  A series of novel 1-methylpropargyl-N-alkylcarbamates, HC C-(R)-CH(CH3)OCONHCH2-CO2CH2CH2](R)-1HC C-(S)-CH(CH3)OCONHCH2CO2CH2CH2[(S)-1], HC C-(S)-CH(CH3)-OCONH-(R)-CH(CH3)CH2CH2CH2CH2CH2CH3[(s),(R)'-2], HC C-(S)-CH(CH3)OCONH-(R)-CH(CH3)CO2-CH2CH2CH3[(S),(R)-3], HC CCH2OCONH-(R)-CH(CH3)CO2CH2CH2CH3 [(R)'-4, HC CCH2OCONH-(S)-CH(CH3)CO2CH2CH2CH3[(S)'-4], and HC CCH2OCONHCH2CO2CH2CH2CH3 (5) were synthesized and r olymel Ind using (nbd)Rh+[eta(6)-C6H5B-(C6H5)(3)] (nbd = bornachene) as a catalyst Substituted cis-stereoregular polyacetylencs with moderate molecular weights were obtained in good yields Polyl(R)-1.1, polyl(S)- I, polyl(S),(RY-2), and poly[(5),(R)1-31 exhibited laige optical rotations (vertical bar[alpha](D)vertical bar= 344 degrees -508 degrees), clear CD signal; (Ar = 4 8-7 0 M-1 cm-1) in CliC11, and Inch viscosity indices (0 82-0 87), demonstrating the formation or-helical structures with predominantly one-handed sciew sense, which wei c stable up to 55 degrees C in the solvent The solution state IR measurement confirmed the presence of mtramolecular hydrogen bonding between the pendent carbamate groups of the polymers Chiral amplification was observed in chiral/achiral [(S)-1/5] and R/S [(R)-I /(S)-1] copolymei izations Conformational analysis revealed that the polymers adopt a tightly twisted helical conformation with a dihedral angle of 70 degrees at the single bond on the main chain The molecular mechanics calcul.ition and X-ray diffraction measurement suggested that the diameter of the helix is 25 and 17 angstrom, respectively.

  DOI：

  10.1021/ma100937k

文献信息

• Tripeptides and sweetening agents containing the same
  申请人：Ajinomoto Co., Inc.

  公开号：US04780528A1

  公开（公告）日：1988-10-25

  Tripeptide sweeteners represented by formula (I) X--Asp--Y--OR wherein X is glycine or a D or DL-isomer of alanine, .alpha.-aminobutyric acid, serine, threonine, norvaline, asparagine, B-methyl aspartate, proline or pipecolic acid, and Y is a D, L or DL-isomer of alanine, phenylalanine, phenylglycine, serine or .beta.-aminobutyric acid or a salt thereof, and R is methyl, ethyl, propyl or isopropyl, are disclosed.

  公开了由式(I) X--Asp--Y--OR所代表的三肽甜味剂，其中X是甘氨酸或D或DL异构体的丙氨酸、α-氨基丁酸、丝氨酸、苏氨酸、正缬氨酸、天冬氨酸、B-甲基天冬氨酸、脯氨酸或吡啶基丙酸，而Y是D、L或DL异构体的丙氨酸、苯丙氨酸、苯基甘氨酸、丝氨酸或β-氨基丁酸或其盐，而R是甲基、乙基、丙基或异丙基。
• NOVEL ASPARTYL DIPEPTIDE ESTER DERIVATIVES AND SWEETENERS
  申请人：Ajinomoto Co., Inc.

  公开号：EP1088829A1

  公开（公告）日：2001-04-04

  There are provided novel aspartyl dipeptide ester derivatives (including salts thereof) such as N-[N-[3-(3-hydroxy-4-methoxyphenyl)propyl]-L-α-aspartyl]-L-(α-methyl)phenylalanine 1-methyl ester which are usable as sweeteners, and sweeteners, foods and the like containing the same. These derivatives are usable as low-calory sweeteners especially excellent in the degree of sweetness in comparison with the conventional products.

  本文提供了新型天冬氨酰二肽酯衍生物（包括其盐），如 N-[N-[3-(3-羟基-4-甲氧基苯基)丙基]-L-α-天冬氨酰]-L-(α-甲基)苯丙氨酸 1-甲酯，可用作甜味剂，以及含有这些衍生物的甜味剂、食品等。 这些衍生物可用作低热量甜味剂，与传统产品相比，其甜度尤其出色。
• US4780528A
  申请人：——

  公开号：US4780528A

  公开（公告）日：1988-10-25
• US6630191B1
  申请人：——

  公开号：US6630191B1

  公开（公告）日：2003-10-07
• Enzymatic Reaction in Supercritical Fluid Carbon Dioxide Using Dry-Ice
  作者：Hui-Ming Yu、Han-Liang Lin、Chi-Yue Wu、Ming-Jen Tseng、Shui-Tein Chen、Narumon Jeyashoke、Kanit Krisnangkura

  DOI：10.1002/jccs.199900091

  日期：1999.10

  AbstractNew enzymatic reactions in supercritical fluid carbon dioxide catalyzed by lipases (PPL, Lipase MY, Candida cylindracea Lipase), and Proteases (subtilisin Carlsberg, subtilisin 8397, immobilized papain) with high efficiency and yields in a simple high pressure reactor using readily available dry‐ice have been developed.