3-tert-butyl-2,6-toluenediamine | 103697-96-7

• 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: 3-tert-butyl-2,6-toluenediamine
• 英文别名: tert-butyl-2,6-toluenediamine；1,3-Benzenediamine, 4-(1,1-dimethylethyl)-2(or 6)-methyl-；4-tert-butyl-2-methylbenzene-1,3-diamine
• CAS: 103697-96-7
• 化学式: C₁₁H₁₈N₂
• 分子量: 178.277
• InChiKey: DVPHIKHMYFQLKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 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：

  3-tert-butyl-2,6-toluenediamine 、 氯甲酸三氯甲酯 以 1,4-二氧六环 为溶剂， 以92.3%的产率得到3-tert-butyl-2,6-toluenediisocyanate
  参考文献：
  名称：

  Mono-tertiary-alkylated toluenediiso-cyanates and derivatives

  摘要：

  公开号：

  EP0244778B1
• 作为产物：
  描述：

  异丁烯 、 2,6-二氨基甲苯 生成 3-tert-butyl-2,6-toluenediamine
  参考文献：
  名称：

  DIXON, DALE D.;BURGOYNE, WILLIAM F.

  摘要：

  DOI：

文献信息

• Polyurethane foams incorporating alkoxylated aromatic diamine and
  申请人：Air Products and Chemicals, Inc.

  公开号：US04743628A1

  公开（公告）日：1988-05-10

  This invention relates to crosslinker systems for polyurethane foams and a process for producing such foams. The polyurethanes are prepared by reacting an organic polyisocyanate with an organic compound having active Zerewitenoff hydrogen atoms, e.g., a polyol with an alkoxylated aromatic diamine crosslinker and an acetylenic glycol. Improved properties can be achieved, such as, higher load-bearing at equivalent foam density; higher tear; higher elongation and higher air flow.

  本发明涉及用于聚氨酯泡沫的交联剂系统以及生产此类泡沫的过程。聚氨酯是通过将有活性Zerewitenoff氢原子的有机化合物（例如，具有醇基的芳香胺交联剂和乙炔基二醇）与有机聚异氰酸酯反应而制备的。可以实现更好的性能，例如，在等效泡沫密度下具有更高的承载能力；更高的撕裂强度；更高的延展性和更高的气流。
• Polyurethane system using monotertiary-alkyltoluenediamine as a cross
  申请人：Air Products and Chemicals, Inc.

  公开号：US04816543A1

  公开（公告）日：1989-03-28

  This invention relates to improved polyurethane systems prepared by reacting an organic polyisocyanate with a hydroxyl containing compound, the improvement comprising utilizing mono tertiary-alkyltoluenediamine where the tertiary-alkyl group is ortho to an amine group as a chain extender or component thereof. The ortho-tertiary-butyltoluenediamine isomer is particular effective for use in reaction injection molding of polyurethanes and can be formulated with polyol as a chain extender mix.

  本发明涉及改进的聚氨酯体系，由有机聚异氰酸酯与含羟基化合物反应而制备，其中改进在于利用单一的三级烷基甲苯二胺，其中该三级烷基位于胺基的邻位，作为链延长剂或其组分。对于聚氨酯反应注塑成型，邻-三丁基甲苯二胺异构体特别有效，并可与聚醚作为链延长剂混合配制。
• Mono-tertiary-alkylated toluenediamine and derivatives
  申请人：AIR PRODUCTS AND CHEMICALS, INC.

  公开号：EP0177916A1

  公开（公告）日：1986-04-16

  This invention relates to a class of tertiary-alkyltoluenediamines having alkyl groups ortho to an amine group. More particularly the aromatic diamines are represented by the formulas: wherein R1, R2 and R3 are C1-3 alkyl groups or R2 and R3 are combined to form a C5-6 membered ring. The above described alkylated aromatic diamines have been found to be well suited for use as a chain extender in forming polyurethane/urea elastomer systems and the mono tert-butyltoluenediamine isomers have been found to be non- mutagenic in the Ames test.

  本发明涉及一类叔烷基甲苯二胺，其烷基正交于一个胺基。 更具体地说，芳香族二胺由以下公式表示：其中 R1、R2 和 R3 为 C1-3 烷基，或 R2 和 R3 组合形成一个 C5-6 分子环。 上述烷基化芳香族二胺已被发现非常适合用作聚氨酯/尿素弹性体系统的扩链剂，并且单叔丁基甲苯二胺异构体在艾姆斯试验中被发现无诱变性。
• Process for producing monotertiary butyl toluenediamine
  申请人：AIR PRODUCTS AND CHEMICALS, INC.

  公开号：EP0202557A2

  公开（公告）日：1986-11-26

  This invention pertains to a process for selectively reacting isobutylene with toluenediamine to form monotertiary butyl toluenediamine at high conversion. The process comprises contacting a toluenediamine feedstock containing the 2,4- or 2,6-toluenediamine isomer with isobutylene or an isobutylene precursor in the presence of an acidic zeolite catalyst having an effective pore size of about 6 to 8 Angstroms. An H-Y zeolite is preferred.

  本发明涉及一种异丁烯与甲苯二胺选择性反应生成高转化率单叔丁基甲苯二胺的工艺。该工艺包括在有效孔径约为 6 至 8 埃的酸性沸石催化剂存在下，将含有 2,4- 或 2,6- 甲苯二胺异构体的甲苯二胺原料与异丁烯或异丁烯前体接触。首选 H-Y 沸石。
• Alkylation of aromatic amines in the presence of acidic, crystalline molecular sieves
  申请人：AIR PRODUCTS AND CHEMICALS, INC.

  公开号：EP0226781A1

  公开（公告）日：1987-07-01

  This invention relates to a process for producing ring alkylated aromatic amines. In the process an aromatic amine is reacted with an olefin using an acidic crystalline molecular sieve as a catalyst. Under the conditions of the process the catalyst is extremely active and with amines that are capable of alkylation at the ortho and para positions, high selectivity to the ortho alkylated isomer can be achieved.

  本发明涉及一种生产环状烷基化芳香胺的工艺。 在该工艺中，使用酸性结晶分子筛作为催化剂，使芳香胺与烯烃发生反应。 在该工艺的条件下，催化剂极为活跃，对于能够在正位和对位发生烷基化反应的胺，可以实现对正位烷基化异构体的高选择性。