Indole, 1-(2-diethylaminoethyl)-

Base Information

• Chemical Name: Indole, 1-(2-diethylaminoethyl)-
• CAS No.: 72395-46-1
• Molecular Formula: C14H20 N2
• Molecular Weight: 216.326
• European Community (EC) Number: 276-637-5
• NSC Number: 82302
• UNII: XY6PL2XZT2
• DSSTox Substance ID: DTXSID50222694
• Nikkaji Number: J299.106C
• Wikidata: Q83101012
• Mol file: 72395-46-1.mol

Synonyms:INDOLE, 1-(2-DIETHYLAMINOETHYL)-;72395-46-1;N,N-Diethyl-1H-indole-1-ethylamine;N-(2-Diethylaminoethyl)-indole;EINECS 276-637-5;XY6PL2XZT2;BRN 0163971;N,N-Diethyl-1H-indole-1-ethanamine;NSC-82302;1H-Indole-1-ethanamine, N,N-diethyl-;4-20-00-03187 (Beilstein Handbook Reference);NSC82302;UNII-XY6PL2XZT2;SCHEMBL2036331;DTXSID50222694;1H-Indole-1-ethanamine,N-diethyl-;NSC 82302;Diethyl-(2-indol-1-yl-ethyl)-amine;1-(2-DIETHYLAMINOETHYL)INDOLE;AKOS013124539;LS-82867

Chemical Property of Indole, 1-(2-diethylaminoethyl)-

Chemical Property:

• Vapor Pressure: 0.000156mmHg at 25°C
• Boiling Point: 331.5°C at 760 mmHg
• PKA: 10.24±0.25(Predicted)
• Flash Point: 154.3°C
• PSA: 8.17000
• Density: 0.97g/cm³
• LogP: 2.98310
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 216.162648646
• Heavy Atom Count: 16
• Complexity: 201

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CCN1C=CC2=CC=CC=C21

Technology Process of Indole, 1-(2-diethylaminoethyl)-

There total 959 articles about Indole, 1-(2-diethylaminoethyl)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

bis[bis(trimethylsilyl)amido][[(trimethylsilyl)methyl]stannyl]praseodymium*0.5(dimethoxyethane) → chloro-trimethyl-silane (75-77-4) + hydrogen (1333-74-0) + praseodymium(III) chloride (10361-79-2) + Chlor-tris<(trimethylsilyl)methyl>zinn (34570-67-7) + 1,1,1,3,3,3-hexamethyl-disilazane (999-97-3)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; mixt. od dry HCl (excess), Pr/Sn-complex and THF keeping dor 1 d at room temp., THF replacing by hexane in usual way; ppt. filtration of, hexane-soln. evapn. (vac.), residue crystn. twice (hexane, -70°C), GLC of volatiles;

Reference yield: 98.0%

methylphosphonic acid bis(trimethylsilyl) ester (18279-83-9) → methylphosphonic acid dichloroanhydride (676-97-1) + chloro-trimethyl-silane (75-77-4)

Guidance literature:

With phosphorus pentachloride; In tetrachloromethane; for 1h; Ambient temperature;

DOI:10.1246/cl.1980.435

Reference yield: 86.5%

methylphosphonic acid bis(trimethylsilyl) ester (18279-83-9) → methylphosphonic acid dichloroanhydride (676-97-1) + chloro-trimethyl-silane (75-77-4) + o-phenylene chlorophosphate (1499-17-8)

Guidance literature:

With CPT;

upstream raw materials:

indole

2-(diethylamino)ethyl chloride

pyridine

(2-chloroethoxy)trimethylsilane

Refernces

• 1、 Neumueller, Bernhard,Dehnicke, Kurt. "Crystal structures of the iso-thiocyanatoberyllates (Ph4P) 2[Be(NCS)4] and (Ph4P)4[{Be 2(NCS)4(Li-NCS)2}{Be2(NCS) 6(Li-H2N2C2S2)}]". . p. 1206 - 1211. Retrieved 2010.
• 2、 Meller,A.,Maringgele,W.. "-". . p. 753 - 761. Retrieved 1970.
• 3、 Castellanos, Nelson J.,Martinez, Fernando,Paez-Mozo, Edgar A.,Ziarelli, Fabio,Arzoumanian, Henri. "Bis(3,5-dimethylpyrazol-1-yl)acetate bound to titania and complexed to molybdenum dioxido as a bidentate N,N0-ligand. Direct comparison with a bipyridyl analog in a photocatalytic arylalkane oxidation by O2". . p. 629 - 637. Retrieved 2012.
• 4、 Peterson et al.. "". . p. 437,440. Retrieved 1972.
• 5、 Mania, Philipp,Verel, Rene,Jenny, Florian,Hammond, Ceri,Hermans, Ive. "Thermal restructuring of silica-grafted TiClx species and consequences for epoxidation catalysis". . p. 9849 - 9858. Retrieved 2013.
• 6、 Lazareva,Lazarev. "Synthesis and structure of potentially biologically active N-(silylmethyl)tetrahydropyrimidin-2-ones". . p. 2081 - 2086. Retrieved 2014.
• 7、 Baceiredo, Antoine,Igau, Alain,Bertrand, Guy,Menu, Marie Joelle,Dartiguenave, Yves,Bonnet, Jean Jaques. "Phosphinocarbene-Phosphaalkene Rearrangement and Intramolecular Wittig-like Reaction Involving a Phosphorus Vinyl Ylide". . p. 7868 - 7869. Retrieved 1986.
• 8、 Basenko, Sergey V.,Soldatenko, Anastasiya S.,Vashchenko, Olexandr V.,Smirnov, Vladimir I.. "Silacyclophanones 2*. Cyclic organosilicon esters of terephthalic acid". . . Retrieved 2018.
• 9、 Homsy, N. K.,Roesky, H. W.,Lucas, J.,Pogatzki, V. W.. "NEW REACTIONS OF HEXAFLUOROACETONE". . p. 93. Retrieved 1985.
• 10、 Urenovitch,J.V.,MacDiarmid,A.G.. "-". . p. 3372 - 3375. Retrieved 1963.