(1S,3R,4R)-4-methylcyclohexane-1,3-diamine | 13897-55-7

• 物质功能分类: 有机原料 - 氨基化合物
• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (1S,3R,4R)-4-methylcyclohexane-1,3-diamine
• CAS: 13897-55-7；32175-06-7；32175-07-8；32175-08-9；32175-09-0
• 化学式: C₇H₁₆N₂
• 分子量: 128.217
• InChiKey: QTKDDPSHNLZGRO-DSYKOEDSSA-N

物化性质

• 沸点：
  227.68°C (rough estimate)
• 密度：
  0.9394 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  52
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2921300090

文献信息

• METHOD FOR PRODUCING CIS- AND TRANS-ENRICHED MDACH
  申请人：BASF SE

  公开号：US20170260115A1

  公开（公告）日：2017-09-14

  A process for preparing trans-enriched MDACH, including: distilling an MDACH starting mixture in the presence of an auxiliary, which is an organic compound having a molar mass of 62 to 500 g/mol, a boiling point at least 5° C. above the boiling point of cis,cis-2,6-diamino-1-methylcyclohexane, and 2 to 4 functional groups, each of which is independently an alcohol group or a primary, secondary or tertiary amino group. The MDACH starting mixture includes 0 to 100% by weight of 2,4-MDACH and 0 to 100% by weight of 2,6-MDACH, based on the total amount of MDACH present in the MDACH starting mixture. The MDACH starting mixture includes both trans and cis isomers. Trans-enriched MDACH includes 0 to 100% by weight of 2,4-MDACH and 0 to 100% by weight of 2,6-MDACH, where the proportion of trans isomers in the mixture is higher than the proportion of trans isomers in the MDACH starting mixture.

  制备富含反式异构体MDACH的方法，包括：在辅助剂的存在下蒸馏MDACH起始混合物，所述辅助剂是一种有着62至500克/摩尔的摩尔质量、沸点至少比顺式、顺式-2,6-二氨基-1-甲基环己烷的沸点高出至少5摄氏度，并且具有2至4个官能团，每个官能团独立地是醇基团或一级、二级或三级氨基团的有机化合物。MDACH起始混合物包括以MDACH起始混合物中MDACH总量为基础的0至100%重量的2,4-MDACH和0至100%重量的2,6-MDACH。MDACH起始混合物包括反式和顺式异构体。富含反式异构体的MDACH包括以2,4-MDACH和2,6-MDACH的0至100%重量为基础，其中混合物中反式异构体的比例高于MDACH起始混合物中反式异构体的比例。
• PROCESS FOR HYDROGENATING AROMATIC DI- AND POLYAMINES
  申请人：Bayer MaterialScience AG

  公开号：US20150218082A1

  公开（公告）日：2015-08-06

  A catalytic process for hydrogenating aromatic di- and polyamines with the aid of a selected catalyst system is provided, which comprises a mixture of a first heterogeneous catalyst and a second heterogeneous catalyst and a nitro compound (nitrate and/or nitrite salt). The first and second heterogeneous catalyst each independently comprise a metal selected from the group consisting of Cr, Mo, W, Mn, Re, Fe, Ru, Os, Co, Rh, Ir, Ni, Pd and/or Pt and the metal selected for the second heterogeneous catalyst is different from the metal selected for the first heterogeneous catalyst. Hydrogenation of aromatic rings having two or more amino groups bound to the aromatic ring produces cycloaliphatic di- and polyamines, which are useful chemical intermediates, e.g., for further reaction with epoxides or isocyanates. The amino groups may also be converted to isocyanates via reaction with phosgene. The resulting cycloaliphatic di- and polyisocyanates may also be used as monomers for making polymers.

  提供了一种催化氢化芳香族二元和多元胺的过程，该过程借助于一个选定的催化剂系统，其中包括第一异相催化剂和第二异相催化剂的混合物以及硝基化合物（硝酸盐和/或亚硝酸盐）。第一和第二异相催化剂各自独立地包含从Cr、Mo、W、Mn、Re、Fe、Ru、Os、Co、Rh、Ir、Ni、Pd和/或Pt组成的金属，并且第二异相催化剂选择的金属与第一异相催化剂选择的金属不同。氢化具有两个或更多氨基固定在芳香环上的芳香环产生环脂肪族二元和多元胺，这些是有用的化学中间体，例如，用于与环氧化物或异氰酸酯进一步反应。氨基团也可以通过与光气反应转化为异氰酸酯。所得到的环脂肪族二元和多元异氰酸酯也可以用作制造聚合物的单体。
• Isomerization of MDACH
  申请人：BASF SE

  公开号：US10329238B2

  公开（公告）日：2019-06-25

  A method for isomerizing a starting mixture comprising 2,4-diamino-1-methylcyclohexane, 2,4-MDACH for short, 2,6-diamino-1-methylcyclohexane, 2,6-MDACH for short, or mixtures thereof, wherein the isomerization is carried out in the presence of a supported catalyst with zirconium dioxide as support and ruthenium as active metal.

  一种使包含 2,4-二氨基-1-甲基环己烷（简称 2,4-MDACH）、2,6-二氨基-1-甲基环己烷（简称 2,6-MDACH）或其混合物的起始混合物异构化的方法，其中异构化在以二氧化锆为载体、钌为活性金属的支撑催化剂存在下进行。
• Method for producing cis- and trans-enriched MDACH
  申请人：BASF SE

  公开号：US10336668B2

  公开（公告）日：2019-07-02

  A process for preparing trans-enriched MDACH, including: distilling an MDACH starting mixture in the presence of an auxiliary, which is an organic compound having a molar mass of 62 to 500 g/mol, a boiling point at least 5° C. above the boiling point of cis,cis-2,6-diamino-1-methylcyclohexane, and 2 to 4 functional groups, each of which is independently an alcohol group or a primary, secondary or tertiary amino group. The MDACH starting mixture includes 0 to 100% by weight of 2,4-MDACH and 0 to 100% by weight of 2,6-MDACH, based on the total amount of MDACH present in the MDACH starting mixture. The MDACH starting mixture includes both trans and cis isomers. Trans-enriched MDACH includes 0 to 100% by weight of 2,4-MDACH and 0 to 100% by weight of 2,6-MDACH, where the proportion of trans isomers in the mixture is higher than the proportion of trans isomers in the MDACH starting mixture.

  一种制备反式富集 MDACH 的工艺，包括：在有助剂存在的情况下蒸馏 MDACH 起始混合物，助剂是一种有机化合物，其摩尔质量为 62 至 500 克/摩尔，沸点比顺式，顺式-2,6-二氨基-1-甲基环己烷的沸点高至少 5 摄氏度，以及 2 至 4 个官能团，每个官能团独立地是醇基或伯氨基、仲氨基或叔氨基。根据 MDACH 起始混合物中的 MDACH 总量，MDACH 起始混合物包括 0 至 100% 重量的 2，4-MDACH 和 0 至 100% 重量的 2，6-MDACH。MDACH 起始混合物包括反式和顺式异构体。反式富集 MDACH 包括 0 至 100% 重量的 2,4-MDACH 和 0 至 100% 重量的 2,6-MDACH，其中混合物中反式异构体的比例高于 MDACH 起始混合物中反式异构体的比例。
• Process for hydrogenating aromatic di- and polyamines to cycloaliphatic di- and polyamines
  申请人：Covestro Deutschland AG

  公开号：EP2905272B1

  公开（公告）日：2016-11-23