4-(2-Aminoethyl)thiomorpholine

Base Information

• Chemical Name: 4-(2-Aminoethyl)thiomorpholine
• CAS No.: 53515-36-9
• Molecular Formula: C6H14N2S
• Molecular Weight: 146.257
• Hs Code.: 2934999090
• European Community (EC) Number: 691-365-0
• DSSTox Substance ID: DTXSID90378280
• Wikidata: Q82167835
• Mol file: 53515-36-9.mol

Synonyms:4-(2-Aminoethyl)thiomorpholine;53515-36-9;2-Thiomorpholinoethanamine;2-thiomorpholin-4-ylethanamine;2-(THIOMORPHOLIN-4-YL)ETHAN-1-AMINE;4-thiomorpholinethanamine;2-thiomorpholin-4-ylethylamine;SCHEMBL2215013;2-(4-Thiomorpholinyl)ethanamine;DTXSID90378280;ZMBVBAVBXVSHER-UHFFFAOYSA-N;MFCD02179434;AKOS009159287;AB11122;BS-28558;CS-0179160;FT-0640167;EN300-75438;H11857;A829647

Chemical Property of 4-(2-Aminoethyl)thiomorpholine

Chemical Property:

• Vapor Pressure: 0.0328mmHg at 25°C
• Boiling Point: 243 °C at 760 mmHg
• PKA: 9.98±0.10(Predicted)
• Flash Point: 100.8 °C
• PSA: 54.56000
• Density: 1.057g/cm³
• LogP: 0.63210
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 146.08776963
• Heavy Atom Count: 9
• Complexity: 71.5

Purity/Quality:

98%min ^*data from raw suppliers

4-(2-Aminoethyl)thiomorpholine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CSCCN1CCN

Technology Process of 4-(2-Aminoethyl)thiomorpholine

There total 2 articles about 4-(2-Aminoethyl)thiomorpholine 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:

thiomorpholin-4-yl-acetonitrile (53515-34-7) → 4-(2-Aminoethyl)thiomorpholine (53515-36-9)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 20h; Heating;

DOI:10.1021/jm00257a022

Reference yield:

N-(2-Thiomorpholinoethyl)phthalimide (118599-18-1) → 4-(2-Aminoethyl)thiomorpholine (53515-36-9)

Guidance literature:

With hydrazine hydrate; In methanol; dichloromethane;

DOI:10.1021/jm00123a036

Reference yield: 97.0%

4-(2-Aminoethyl)thiomorpholine (53515-36-9) + 3-(7-chloro-6-methoxyquinazolin-4-yloxy)-4-methyl-N-(3-(trifluoromethyl)phenyl)benzamide → 3-(6-methoxy-7-(2-thiomorpholinoethylamino)quinazolin-4-yloxy)-4-methyl-N-(3-(trifluoromethyl)phenyl)benzamide

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; potassium carbonate; XPhos; In toluene; at 90 ℃; for 16h;

upstream raw materials:

thiomorpholin-4-yl-acetonitrile

N-(2-Thiomorpholinoethyl)phthalimide

Downstream raw materials:

1-Phenyl-3-<2-(thiomorpholino)ethyl>traizene

5(S)-tert-butoxycarbonylamino-4(S)-hydroxy-7(S)-isopropyl-2(R)-methyl-8-[4-methoxy-3-(3-methoxypropyloxy)-phenyl]-octanoic acid N-(2-thiomorpholinoethyl) amide

Refernces

• 1、 Wise,Morrison,Egan,Commarato,Kopia,Lattime. "Antihypertensives. 1. Syntheses of thiazino-, thiazepino-, and thiazoninoethylguanidines". . p. 1232 - 1234. Retrieved 2007/10/05.