3-(Ethylamino)butan-1-ol

Base Information

• Chemical Name: 3-(Ethylamino)butan-1-ol
• CAS No.: 76888-68-1
• Molecular Formula: C₆H₁₅NO
• Molecular Weight: 117.191
• Hs Code.: 2922199090
• European Community (EC) Number: 854-457-3
• DSSTox Substance ID: DTXSID10505192
• Mol file: 76888-68-1.mol

Synonyms:3-(ethylamino)butan-1-ol;76888-68-1;3-(ethylamino)-1-butanol;3-Ethylamino-butan-1-ol;SCHEMBL1720055;DTXSID10505192;MFCD09864523;AKOS000321202;AKOS016342124;3-(ethylamino)butan-1-ol, AldrichCPR;SB84212;LS-01507;BB 0240834;CS-0309163;FT-0678963;EN300-1637066

Chemical Property of 3-(Ethylamino)butan-1-ol

Chemical Property:

• Vapor Pressure: 0.192mmHg at 25°C
• Refractive Index: 1.434
• Boiling Point: 185.879°C at 760 mmHg
• Flash Point: 66.978°C
• PSA: 32.26000
• Density: 0.873g/cm³
• LogP: 0.75770
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 117.115364102
• Heavy Atom Count: 8
• Complexity: 47.8

Purity/Quality:

98%min ^*data from raw suppliers

3-(ethylamino)butan-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNC(C)CCO

Technology Process of 3-(Ethylamino)butan-1-ol

There total 5 articles about 3-(Ethylamino)butan-1-ol 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: 68.0%

3-(Acetylamino)buttersaeure-methylester (43135-01-9) → 3-(ethylamino)-1-butanol (76888-68-1)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 2h; 1.) 0 deg C, 30 min, 2.) reflux, 2 h;

DOI:10.1016/S0957-4166(00)86107-8

Reference yield: 51.0%

methyl β-ethylaminobutanoate (344324-31-8) → 3-(ethylamino)-1-butanol (76888-68-1)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran;

DOI:10.1039/P29800001739

Reference yield:

methyl (Z)-3-acetamido-2-butenoate (72569-97-2,136744-85-9,67654-56-2) → 3-(ethylamino)-1-butanol (76888-68-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 98 percent / H₂ / 5percent Pd/C / methanol / 24 h / Ambient temperature

2: 68 percent / LiAlH₄ / tetrahydrofuran / 2 h / 1.) 0 deg C, 30 min, 2.) reflux, 2 h

With lithium aluminium tetrahydride; hydrogen; palladium on activated charcoal; In tetrahydrofuran; methanol;

DOI:10.1016/S0957-4166(00)86107-8

upstream raw materials:

3-ethylamino-butyric acid ethyl ester

3-(Acetylamino)buttersaeure-methylester

methyl β-ethylaminobutanoate

methyl (Z)-3-acetamido-2-butenoate