2-[(1-Methylpropyl)amino]ethanol

Base Information

• Chemical Name: 2-[(1-Methylpropyl)amino]ethanol
• CAS No.: 35265-04-4
• Deprecated CAS: 1187645-36-8
• Molecular Formula: C6H15 N O
• Molecular Weight: 117.191
• Hs Code.: 2922199090
• European Community (EC) Number: 252-471-9
• NSC Number: 128123
• DSSTox Substance ID: DTXSID80885615
• Nikkaji Number: J289.953A
• Mol file: 35265-04-4.mol

Synonyms:35265-04-4;2-(butan-2-ylamino)ethanol;2-[(1-METHYLPROPYL)AMINO]ETHANOL;2-[(butan-2-yl)amino]ethan-1-ol;Ethanol,2-[(1-methylpropyl)amino]-;2-((1-Methylpropyl)amino)ethanol;EINECS 252-471-9;Ethanol, 2-((1-methylpropyl)amino)-;Ethanol, 2-[(1-methylpropyl)amino]-;EC 252-471-9;2-(sec-butylamino)ethanol;NSC128123;C(C)(CC)NCCO;SCHEMBL297268;DTXSID80885615;AKOS000253428;AKOS022327132;N-(2-hydroxyethyl)-N-(2-butyl)amine;NSC 128123;NSC-128123;CS-0239442;EN300-213002;Z335251014

Chemical Property of 2-[(1-Methylpropyl)amino]ethanol

Chemical Property:

• Vapor Pressure: 0.138mmHg at 25°C
• Boiling Point: 191.4°Cat760mmHg
• PKA: 10.126[at 20 ℃]
• Flash Point: 72.1°C
• PSA: 32.26000
• Density: 0.872g/cm³
• LogP: 0.75770
• Water Solubility.: 544g/L at 20℃
• XLogP3: 0.4
• 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:

99.9% ^*data from raw suppliers

2-(2-Butylamino)ethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(C)NCCO

Technology Process of 2-[(1-Methylpropyl)amino]ethanol

There total 5 articles about 2-[(1-Methylpropyl)amino]ethanol 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: 80.0%

ethanolamine (141-43-5) + butanone (78-93-3) → N-sec-Butylaminoethylalcohol (35265-04-4)

Guidance literature:

ethanolamine; butanone; With titanium(IV) isopropylate; In tetrahydrofuran; at 20 ℃; for 8h;

With sodium tetrahydroborate; In tetrahydrofuran; ethanol; at 20 ℃; for 8h;

DOI:10.1055/s-2003-41066

Reference yield: 70.0%

oxirane (75-21-8,99932-75-9) + SEC-BUTYLAMINE (33966-50-6) → N-sec-Butylaminoethylalcohol (35265-04-4)

Guidance literature:

In methanol; at 20 ℃; for 4h;

Reference yield: 30.0%

4-sec-Butyl-1-oxa-4-aza-spiro[4.5]decane (106345-16-8) → N-sec-Butylaminoethylalcohol (35265-04-4) + 1-sec-Butyl-4,5,6,7-tetrahydro-1H-indole (106345-20-4) + cyclohexanol (108-93-0)

Guidance literature:

With potassium hydroxide; Heating; CH₃ONa as reagent;

DOI:10.1007/BF00542786

upstream raw materials:

ethanolamine

isobutyraldehyde

2-methyl-2-ethyl-2,3,4,5-tetrahydroisoxazole

4-sec-Butyl-1-oxa-4-aza-spiro[4.5]decane

Downstream raw materials:

Benzilsaeure-<2-(1-methyl-propylamino)-aethylester>

N-Phenyl-N'-<2-methyl-propyl>-N'-<2-hydroxy-aethyl>-thioharnstoff

Refernces

• 1、 Kumpaty, Hephzibah J.,Bhattacharyya, Sukanta,Rehr, Erik W.,Gonzalez, Amelia M.. "Selective Access to Secondary Amines by a Highly Controlled Reductive Mono-N-Alkylation of Primary Amines". . p. 2206 - 2210. Retrieved 2007/10/03.
• 2、 Kukharev, B.F.,Stankevich, V.K.,Kukhareva, V.A.. "OXAZOLIDINES. 1. BASIC CATALYTIC DISPROPORTIONATION OF CYCLOHEXANOSPIRO-2-OXAZOLIDINES: SYNTHESIS OF N-SUBSTITUTED 4,5,6,7-TETRAHYDROINDOLES". . p. 437 - 439. Retrieved 2007/10/02.