CAS: 87583-89-9; (1S,2S)-N,N'-Dimethylcyclohexane-1,2-Diamine

该化合物是一种有机化合物,其结构特征包括两个矿类和环环,其典型特征是无色的黄色液体,以其类似矿的气味闻名;在水和各种有机溶剂中溶解,使其具有多种用途;二甲基环己胺主要用作环氧树脂中的硬化剂和生产聚氨酯的固化剂;其化学特性包括能够参与氨的典型反应,例如核生殖器替代和酸盐的形成;此外,该化合物具有中度毒性,在处理过程中需要采取适当的安全措施;该化合物的结构允许阻塞性,影响其与其他化学物种的抗反应和相互作用;

英文名称(1S,2S)-N,N'-Dimethylcyclohexane-1,2-Diamine
中文名称(1S,2S)-(+)-N,N'-二甲基环己烷-1,2-二胺
IUPAC名称(1S,2S)-N1,N2-dimethylcyclohexane-1,2-diamine
其它别名(S,S)-(+)-N,N'-Dimethyl-1,2-Cyclohexanediamine, >=97.0% (Gc); (1S,2S)-N,N'-Dimethyl-1,2-Cyclohexanediamine; (1S,2S)-N,N'-Dimethyl-Cyclohexane-1,2-Diamine; (1S,2S)-N,N'-Dimethylcyclohexane-1,2-Diamine; Trans-N,N'-Dimethyl
CAS编号87583-89-9
MFCD编号:MFCD00671528
EINECS号:625-342-3
分子式:C8H18N2
分子量:142.24
产品CID: 1883808
产品分类化学试剂 → 有机试剂 → 烷烃

相似结构搜索
InChIKey: JRHPOFJADXHYBR-YUMQZZPRSA-N
InChI=1S/C8H18N2/c1-9-7-5-3-4-6-8(7)10-2/h7-10H,3-6H2,1-2H3/t7-,8-/m0/s1…
计算化学: 氢键受体数2.0氢键供体数2.0可旋转键数2.0

物理性质

熔点39-44 °C
沸点186.8±8.0 °C at 760 mmHg
闪点60.2±10.2 °C
密度0.9±0.1 g/cm3
PH:145 º (c=4.47 in chloroform)
pKa:11.04±0.40(预测)
PSA:24.06
LogP:0.35
旋光度145º(C=4.47INCHLOROFORM)闪点74ºC
折射率1.469
蒸汽压0.7±0.4 mmHg at 25°C
溶解性Slightly Soluble In Water.
外观形态浅棕色固体
储存条件2-8°C
产品应用该化合物用于O-H和N-H插入反应;作为Α-氯-Α-烷-烷基磷酸合成的起始材料;为C60C 2对称二亚胺酶作配有色谱特性的C6.

MSDS等安全信息

GHS象形图
GHS符号GHS07 & GHS05;
注释: Exclamation mark & Corrosion
危险类别急性毒性类别4(经口)
皮肤腐蚀类别1B
皮肤腐蚀类别1C
严重眼损伤类别1
警示词Danger(危险)
危险描述H302 |吞咽有害.
H314 |造成严重皮肤灼伤和眼损伤.
H318 |造成严重眼损伤.
防范说明P260-P270-P280-P301+P312-P303+P361+P353-P305+P351+P338
危险等级8
UN编号UN 3259
危险品标志C
包装等级Ⅱ
安全声明26-36/37/39-45
危险类别码36/37/38-34-22
WGK Germany3.0

欧盟法规

ECHA物质C&L通报

上下游产品

(1R,2R)-(-)-N,N'-二甲基-1,2-环己二胺 (R,R)-1,2-Bis(N-Methylamino)Cyclohexane 68737-65-5
N,N'-((1S,2S)-Cyclohexane-1,2-Diyl)Diformamide 122743-11-7
(1S,2S)-(+)-1,2-环己二胺 (S,S)-1,2-Diaminocyclohexane 21436-03-3

合成工艺路线路线简述

122743-11-7 = 87583-89-9
反应条件:1.1 Reagents: Lithium Aluminum Hydride Solvents: Diethyl Ether
标题:Scope Of The Reductive Coupling Of Aromatic Aldimines Using Low-Valent Titanium Reagents To Form 1,2-Diarylethylenediamines
作者:Betschart,Claudia; Et Al
参考文献:Helvetica Chimica Acta 日期:1988 卷标:71(8) 页码:1999-2021]

21436-03-3 = 87583-89-9
反应条件:1.1 Reagents: Triethylamine1.2 Reagents: Lithium Aluminum Hydride Solvents: Tetrahydrofuran
标题:Synthesis And Characterization Of Both Enantiomers Of A Chiral C60 Derivative With C2 Symmetry
作者:Maggini,Michele; Et Al
参考文献:Tetrahedron Letters 日期:1995 卷标:36(16) 页码:2845-6]

21436-03-3 = 87583-89-9
反应条件:1.1 Catalysts: Sodium Hydroxide Solvents: Benzene2.1 Catalysts: Lithium Aluminum Hydride Solvents: Tetrahydrofuran
标题:(1S,2S)-1,2-Diaminocyclohexane
作者:Kouklovsky,Cyrille; Et Al
参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2001]

109-94-4 + 21436-03-3 = 87583-89-9
反应条件:1.1 -2.1 Reagents: Lithium Aluminum Hydride Solvents: Diethyl Ether
标题:Scope Of The Reductive Coupling Of Aromatic Aldimines Using Low-Valent Titanium Reagents To Form 1,2-Diarylethylenediamines
作者:Betschart,Claudia; Et Al
参考文献:Helvetica Chimica Acta 日期:1988 卷标:71(8) 页码:1999-2021]

= 87583-89-9 + 68737-65-5
反应条件:1.1 Solvents: Water; Cooled; 5 H,80 °C2.1 Reagents: Triphenylphosphine,Diethyl Azodicarboxylate Solvents: Dichloromethane; Cooled; 6 H,Rt3.1 Reagents: Ammonium Chloride Solvents: Water; 5 H,110 °C4.1 Reagents: 2,3-Dihydroxybutanedioic Acid Solvents: Ethanol; 1 H,Rt -> Reflux; Reflux -> Rt4.2 Reagents: Potassium Hydroxide Solvents: Dichloromethane,Water; Ph 9 - 10,Rt4.3 Reagents: 2,3-Dihydroxybutanedioic Acid; 1 H,Reflux
标题:An Efficient Synthesis Of Enantiomerically Pure Trans-N1,N2-Dimethylcyclohexane-1,2-Diamine
作者:Shen,Yan-Hong; Et Al
参考文献:Journal Of Chemical Research 日期:2013 卷标:37(4) 页码:191-192]

942606-10-2 = 87583-89-9
反应条件:1.1 Reagents: Lithium Aluminum Hydride Solvents: Tetrahydrofuran
标题:(1S,2S)-1,2-Diaminocyclohexane
作者:Kouklovsky,Cyrille; Et Al
参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2014 卷标:1 页码:1-23]

942606-10-2 = 87583-89-9
反应条件:1.1 Reagents: Lithium Aluminum Hydride
标题:Chiral Platinum(Ii) Metallointercalators With Potent In Vitro Cytotoxic Activity
作者:Fisher,Dianne M.; Et Al
参考文献:Chemmedchem 日期:2007 卷标:2(4) 页码:488-495]

942606-10-2 = 87583-89-9
反应条件:1.1 Catalysts: Lithium Aluminum Hydride Solvents: Tetrahydrofuran
标题:(1S,2S)-1,2-Diaminocyclohexane
作者:Kouklovsky,Cyrille; Et Al
参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2001]

21436-03-3 = 87583-89-9
反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Benzene,Water2.1 Reagents: Lithium Aluminum Hydride Solvents: Tetrahydrofuran
标题:(1S,2S)-1,2-Diaminocyclohexane
作者:Kouklovsky,Cyrille; Et Al
参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2014 卷标:1 页码:1-23]

21436-03-3 = 87583-89-9 [标题:Reaction Conditions
标题:Establishing The Critical Role Of Oriented Aggregation In Molecular Solid State Fluorescence Enhancement
作者:Srujana,P.; Et Al
参考文献:Chemistry - A European Journal 日期:2018 卷标:24(8) 页码:1784-1788]

21436-03-3 = 87583-89-9
反应条件:1.1 -2.1 Reagents: Lithium Aluminum Hydride
标题:Chiral Platinum(Ii) Metallointercalators With Potent In Vitro Cytotoxic Activity
作者:Fisher,Dianne M.; Et Al
参考文献:Chemmedchem 日期:2007 卷标:2(4) 页码:488-495]

67579-81-1 = 87583-89-9 + 68737-65-5
反应条件:1.1 Reagents: 2,3-Dihydroxybutanedioic Acid Solvents: Ethanol; 1 H,Rt -> Reflux; Reflux -> Rt1.2 Reagents: Potassium Hydroxide Solvents: Dichloromethane,Water; Ph 9 - 10,Rt1.3 Reagents: 2,3-Dihydroxybutanedioic Acid; 1 H,Reflux
标题:An Efficient Synthesis Of Enantiomerically Pure Trans-N1,N2-Dimethylcyclohexane-1,2-Diamine
作者:Shen,Yan-Hong; Et Al
参考文献:Journal Of Chemical Research 日期:2013 卷标:37(4) 页码:191-192]

51066-08-1 = 87583-89-9 + 68737-65-5
反应条件:1.1 Reagents: Ammonium Chloride Solvents: Water; 5 H,110 °C2.1 Reagents: 2,3-Dihydroxybutanedioic Acid Solvents: Ethanol; 1 H,Rt -> Reflux; Reflux -> Rt2.2 Reagents: Potassium Hydroxide Solvents: Dichloromethane,Water; Ph 9 - 10,Rt2.3 Reagents: 2,3-Dihydroxybutanedioic Acid; 1 H,Reflux
标题:An Efficient Synthesis Of Enantiomerically Pure Trans-N1,N2-Dimethylcyclohexane-1,2-Diamine
作者:Shen,Yan-Hong; Et Al
参考文献:Journal Of Chemical Research 日期:2013 卷标:37(4) 页码:191-192]

20431-81-6 = 87583-89-9 + 68737-65-5
反应条件:1.1 Reagents: Triphenylphosphine,Diethyl Azodicarboxylate Solvents: Dichloromethane; Cooled; 6 H,Rt2.1 Reagents: Ammonium Chloride Solvents: Water; 5 H,110 °C3.1 Reagents: 2,3-Dihydroxybutanedioic Acid Solvents: Ethanol; 1 H,Rt -> Reflux; Reflux -> Rt3.2 Reagents: Potassium Hydroxide Solvents: Dichloromethane,Water; Ph 9 - 10,Rt3.3 Reagents: 2,3-Dihydroxybutanedioic Acid; 1 H,Reflux
标题:An Efficient Synthesis Of Enantiomerically Pure Trans-N1,N2-Dimethylcyclohexane-1,2-Diamine
作者:Shen,Yan-Hong; Et Al
参考文献:Journal Of Chemical Research 日期:2013 卷标:37(4) 页码:191-192

(S,S)-1,2-Diaminocyclohexane-N,N'-Diethyl Carbamate置于lithium Aluminium Tetrahydride体系中,用四氢呋喃作为反应溶剂,化学反应生成 (1S,2S)-(+)-N,N'-二甲基环己烷-1,2-二胺
参考文献:拓扑独特的手性膦酰胺的设计和反应性.在不对称烯化和烷基化中具有显着的非对映选择性
标题:拓扑独特的手性膦酰胺的设计和反应性.在不对称烯化和烷基化中具有显着的非对映选择性
摘要:制备苯并二氮杂磷衍生物的膦酰胺衍生物等对烯化不对称环己酮取代物的影响
DOI:10.1021/ja00331A070

海关参考信息

2921211000-乙二胺
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详情请参考：📖 海关编码查询和海关进出口税则

专利信息

专利号:US-7919627-B2
优先权日:2005-05-02
标题:Processes for the preparation of hydroxylamines
发明人：TANG DATONG; QIU YAO-LING; KIM HEEJIN; OR YAT SUN; WANG ZHE
权利人:ENANTA PHARM INC
摘要:The present invention relates generally to novel methods for the synthesis of O-(6-pyrazol-1-yl-pyridin-3-ylmethyl)-hydroxylamine which is an essential reagent in the synthesis of one of the bridged erythromycin derivatives and their respective pharmaceutically acceptable salts in PCT Application WO 03/097659 A1. In particular, the present invention relates to processes and intermediates for the preparation of a compound of formula (Ia):

专利号:US-9573939-B2
优先权日:2011-09-08
标题:Substituted benzofuran compounds and methods of use thereof for the treatment of viral diseases
发明人：MCCOMAS CASEY C; LIVERTON NIGEL J; HABERMANN JOERG; KOCH UWE; NARJES FRANK; LI PENG; PENG XUANJIA; SOLL RICHARD; WU HAO; PALANI ANANDAN; DAI XING; LIU HONG; HE SHUWEN; DANG QUN
权利人:MCCOMAS CASEY C; LIVERTON NIGEL J; HABERMANN JOERG; KOCH UWE; NARJES FRANK; LI PENG; PENG XUANJIA; SOLL RICHARD; WU HAO; PALANI ANANDAN; DAI XING; LIU HONG; HE SHUWEN; DANG QUN; MERCK SHARP & DOHME; MSD ITALIA SRL
摘要:The present invention relates to compounds of formula (I) that are useful as hepatitis C virus (HCV) NS5B polymerase inhibitors, the synthesis of such compounds, and the use of such compounds for inhibiting HCV NS5B polymerase activity, for treating or preventing HCV infections and for inhibiting HCV viral replication and/or viral production in a cell-based system.

专利号:WO-2024089225-A1
优先权日:2022-10-28
标题 :Process for the synthesis of methoxy substituted benzaldehyde compounds
发明人：MAYWALD MATTHIAS; VETTIGER THOMAS; GRIBKOV DENIS; TESSON JULIA
权利人:SYNGENTA CROP PROTECTION AG
摘要:The present invention provides, inter alia, a process for preparing a compound of formula (I) wherein the substituents are as defined in claim 1.

专利号:WO-2024064745-A1
优先权日:2022-09-21
标题:Synthesis of reldesemtiv
发明人：PETERSON MATTHEW W; LU QING; MORGAN BRADLEY P; ASHCRAFT LUKE W; ANDERSEN DENISE
权利人:CYTOKINETICS INC
摘要:Provided herein is a process for the preparation of reldesemtiv and salts thereof. Also provided herein are intermediates used in this process and their preparation.

专利号:US-9790206-B2
优先权日:2013-02-27
标题:Intermediates for use in the preparation of indazole derivatives and processes for the preparation thereof
发明人：EARY C TODD; HACHE BRUNO P; JUENGST DERRICK; SPENCER STACEY RENEE; STENGEL PETER J; WATSON DANIEL JOHN
权利人:ARRAY BIOPHARMA INC
摘要:Provided herein are novel processes for preparing a compound of Formula (I) to the use of said compound as an intermediate in novel processes for the synthesis of indazole derivatives, and to indazole intermediates and derivatives prepared by the processes described herein.

专利号:US-8373005-B2
优先权日:2006-12-21
标题:Process for the synthesis of ethers of aromatic acids
发明人：RITTER JOACHIM C
权利人:DU PONT; RITTER JOACHIM C
摘要:Ethers of aromatic acids are produced from halogenated aromatic acids in a reaction mixture containing a copper (I) or copper (II) source and a diamine ligand that coordinates to copper.

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合成参考文献

摘要:Taylor, R. E.; Diène, C. R.; Daly, E. M., Science of Synthesis, (2009) 46, 563.
摘要:Lubell, W. D.; St-Cyr, D. J.; Dufour-Gallant, J.; Hopewell, R.; Boutard, N.; Kassem, T.; Dörr, A.; Zelli, R., Science of Synthesis Knowledge Updates, (2013) 1, 359.
摘要:Duan, J.; Chen, H.; Hong, X.; Harmata, M., Science of Synthesis: Cross Coupling and Heck-Type Reactions, (2012) 2, 264.
摘要:Huang, J.; Ma, D., Science of Synthesis: Special Topics, (2022) 1, 15.
摘要:Kleemann A., Kutscher B., Reichert D., Bossart M., Pharmaceutical Substances, Thieme [Online], Stuttgart, (2026).