2-(4-methylphenyl)propane-1,3-diamine | 957131-24-7

• 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-methylphenyl)propane-1,3-diamine
• CAS: 957131-24-7
• 化学式: C₁₀H₁₆N₂
• 分子量: 164.25
• InChiKey: PKAUHIGRNVVEDJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  52
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(4-methylphenyl)propane-1,3-diamine 在 三乙胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 74.0h， 生成 allyl [3-(acetylamino)-2-(4-methylphenyl)propyl]carbamate
  参考文献：
  名称：

  1,3-丙二胺衍生物在有机溶剂中的首次脱对称化。开发制备光学活性胺的新途径。

  摘要：

  首次在有机溶剂中使用脂肪酶成功地描述了一组前手性二胺的化学合成和酶促脱对称。使用碳酸二烯丙酯在1,4-二恶烷中的PSL催化反应中，获得了高对映体纯度和良好收率的2-芳基-1,3-丙二胺家族。

  DOI：

  10.1021/ol701720m
• 作为产物：
  描述：

  2-(p-methylphenyl)-1,3-propanediol 在 palladium on activated charcoal 吡啶 、 sodium azide 、 氢气 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 生成 2-(4-methylphenyl)propane-1,3-diamine
  参考文献：
  名称：

  1,3-丙二胺衍生物在有机溶剂中的首次脱对称化。开发制备光学活性胺的新途径。

  摘要：

  首次在有机溶剂中使用脂肪酶成功地描述了一组前手性二胺的化学合成和酶促脱对称。使用碳酸二烯丙酯在1,4-二恶烷中的PSL催化反应中，获得了高对映体纯度和良好收率的2-芳基-1,3-丙二胺家族。

  DOI：

  10.1021/ol701720m

文献信息

• INHIBITORS OF C-FMS KINASE
  申请人：Illig Carl R.

  公开号：US20070249593A1

  公开（公告）日：2007-10-25

  The invention is directed to compounds of Formula I: wherein Z, X, J, R 2 and W are set forth in the specification, as well as solvates, hydrates, tautomers and pharmaceutically acceptable salts thereof, that inhibit protein tyrosine kinases, especially c-fms kinase. Methods of treating autoimmune diseases; and diseases with an inflammatory component; treating metastasis from ovarian cancer, uterine cancer, breast cancer, prostate cancer, lung cancer, colon cancer, stomach cancer, hairy cell leukemia; and treating pain, including skeletal pain caused by tumor metastasis or osteoarthritis, or visceral, inflammatory, and neurogenic pain; as well as osteoporosis, Paget's disease, and other diseases in which bone resorption mediates morbidity including rheumatoid arthritis, and other forms of inflammatory arthritis, osteoarthritis, prosthesis failure, osteolytic sarcoma, myeloma, and tumor metastasis to bone with the compounds of Formula I, are also provided.

  本发明涉及式I化合物：其中Z、X、J、R2和W在说明书中规定，以及抑制蛋白酪氨酸激酶，尤其是c-fms激酶的溶剂化物、水合物、互变异构体和药用盐。治疗自身免疫病；和治疗具有炎症成分的疾病；治疗来自卵巢癌、子宫癌、乳腺癌、前列腺癌、肺癌、结肠癌、胃癌、毛细胞白血病的转移；和治疗疼痛，包括由肿瘤转移或骨关节炎引起的骨骼疼痛，或内脏、炎症性和神经性疼痛；以及骨质疏松症、佩吉特病，以及骨吸收介导病状的其它疾病，包括类风湿性关节炎、其它形式的炎症性关节炎、骨关节炎、假体失败、溶骨肉瘤、骨髓瘤和骨转移瘤，也提供了式I化合物。
• Enzymatic Desymmetrization of Prochiral 2-Substituted-1,3-Diamines: Preparation of Valuable Nitrogenated Compounds
  作者：Nicolás Ríos-Lombardía、Eduardo Busto、Eduardo García-Urdiales、Vicente Gotor-Fernández、Vicente Gotor

  DOI：10.1021/jo8025912

  日期：2009.3.20

  A wide range of prochiral 1,3-diamines were first efficiently synthesized and subsequently desymmetrized by using lipase from Pseudomonas cepacia as catalyst and diallyl carbonate as alkoxycarbonylating agent. In all cases, the amino carbamates of R-configuration were recovered. Final selective cleavage of the N-allyloxycarbonyl moiety was carried out under mild reaction conditions, which demonstrates

  首先有效地合成了多种前手性的1,3-二胺，然后使用洋葱假单胞菌的脂肪酶作为催化剂，碳酸二烯丙酯作为烷氧基羰基化剂进行了脱对称。在所有情况下，都回收了R-构型的氨基氨基甲酸酯。N-烯丙氧羰基部分的最终选择性裂解是在温和的反应条件下进行的，这表明该化学酶促途径具有很高的通用性和潜力，可作为相关旋光性氮化衍生物合成中的中间体来源。
• 4-Phenyl and 5-phenyl-1,4,5,6-tetrahydropyrimidine derivatives, pharmaceutical compositions containing said derivatives, and process for preparing said derivatives
  申请人：SYNTEX (U.S.A.) INC.

  公开号：EP0024776A1

  公开（公告）日：1981-03-11

  Compounds represented by the formula wherein A is H, where R is alkyl of one through six carbon atoms; X is hydrogen, fluoro, chloro, bromo, iodo, hydroxy, alkoxy of one through four carbon atoms, benzyloxy, alkyl of one through four carbon atoms, alkylthio of one through four carbon atoms, alkylsulfinyl of one through four carbon atoms, alkylsulfonyl of one through four carbon atoms or trifluoromethyl; and Y is hydrogen or is the same as X; and R' is hydrogen or alkyl of one through four carbon atoms; the phenyl substituent carrying the X and Y is at the 4- or 5-position of the tetrahydropyrimidine ring when R' is hydrogen or is at the 5-position when R' is alkyl; and the pharmaceutically acceptable salts thereof. These compounds are pharmaceutically useful for treating depression, anxiety, convulsions, centrally-induced' skeletal muscle spasm and spasticity.

  由式表示的化合物 式中 A 是 H 其中 R 是一至六个碳原子的烷基； X 是氢、氟、氯、溴、碘、羟基、一至四个碳原子的烷氧基、苄氧基、一至四个碳原子的烷基、一至四个碳原子的烷硫基、一至四个碳原子的烷基亚磺酰基、一至四个碳原子的烷基磺酰基或三氟甲基；和 Y 是氢或与 X 相同；以及 R'为氢或一至四个碳原子的烷基；当 R' 为氢时，携带 X 和 Y 的苯基取代基位于四氢嘧啶环的 4 位或 5 位，当 R' 为烷基时，位于 5 位；及其药学上可接受的盐类。 这些化合物可用于治疗抑郁症、焦虑症、抽搐、中枢诱发的骨骼肌痉挛和痉挛。
• COMPOSITION FOR OPTICAL MATERIAL
  申请人：MITSUBISHI GAS CHEMICAL COMPANY, INC.

  公开号：EP1426392A1

  公开（公告）日：2004-06-09

  The composition for optical materials of the present invention comprises a compound having in one molecule at least one structure represented by the following formula (1): wherein R1, R2, R3, R4, X, Y and n are as defined in the disclosure, an amine compound and an isocyanate compound. Resins obtained by curing the composition by polymerization are useful as well-balanced optical materials having a high impact resistance, a high refractive index and a sufficiently high Abbe's number.

  本发明的光学材料组合物包括在一个分子中至少具有下式（1）所代表的一种结构的化合物： 其中 R1、R2、R3、R4、X、Y 和 n 如公开资料中所定义；胺化合物和异氰酸酯化合物。通过聚合固化组合物得到的树脂可用作具有高抗冲击性、高折射率和足够高的阿贝数的均衡光学材料。
• Composition for optical material
  申请人：——

  公开号：US20040147708A1

  公开（公告）日：2004-07-29

  The composition for optical materials of the present invention comprises a compound having in one molecule at least one structure represented by the following formula (1): 1 wherein R 1 , R 2 , R 3 , R 4 , X, Y and n are as defined in the disclosure, an amine compound and an isocyanate compound. Resins obtained by curing the composition by polymerization are useful as well-balanced optical materials having a high impact resistance, a high refractive index and a sufficiently high Abbe's number.

  本发明的光学材料组合物包括一种化合物，其一个分子中至少有一个结构由下式（1）表示： 1 其中 R 1 , R 2 , R 3 , R 4 X、Y 和 n 的定义、胺化合物和异氰酸酯化合物。通过聚合固化组合物得到的树脂可用作具有高抗冲击性、高折射率和足够高阿贝数的均衡光学材料。