3-(Methylamino)butan-1-ol

Base Information

• Chemical Name: 3-(Methylamino)butan-1-ol
• CAS No.: 2704-55-4
• Molecular Formula: C5H13 N O
• Molecular Weight: 103.164
• Hs Code.: 2922199090
• European Community (EC) Number: 824-540-9
• DSSTox Substance ID: DTXSID50505191
• Nikkaji Number: J605.033F
• Mol file: 2704-55-4.mol

Synonyms:3-(methylamino)butan-1-ol;2704-55-4;3-(Methylamino)-1-butanol;3-methylamino-butan-1-ol;SCHEMBL906720;DTXSID50505191;HNNZBZKURNBXOO-UHFFFAOYSA-N;MFCD09971248;AKOS000321560;AKOS016342143;FS-5689;SB84249;3-(Methylamino)-1-butanol, AldrichCPR;BB 0240802;FT-0678953;EN300-211475;A811767;A877038;g-(Methylamino)butanol;1-Butanol,3-(methylamino);Z1198266877

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

Chemical Property:

• Vapor Pressure: 0.488mmHg at 25°C
• Refractive Index: 1.428
• Boiling Point: 169.846°C at 760 mmHg
• PKA: 15.03±0.10(Predicted)
• Flash Point: 69.786°C
• PSA: 32.26000
• Density: 0.876g/cm³
• LogP: 0.36760
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 103.099714038
• Heavy Atom Count: 7
• Complexity: 39.1

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCO)NC
• Uses: 3-(Methylamino)butan-1-ol is used in preparation of substituted N-heterocyclyl- and N-heteroaryl-tetrahydropyrimidinones and salts as herbicides.

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

There total 2 articles about 3-(Methylamino)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:

methylamine hydrochloride (593-51-1) + crotonaldehyde (123-73-9,4170-30-3) → N-n-butyl-N-methylamine (110-68-9) + γ-methylaminobutanol (2704-55-4)

Guidance literature:

in wss.Loesung vom pH 7.5 und anschliessende Reduktion mit Natriumamalgam in saurer Loesung unterhalb 10grad;

Reference yield:

water (7732-18-5) + methylamine hydrochloride (593-51-1) + crotonaldehyde (123-73-9,4170-30-3) → N-n-butyl-N-methylamine (110-68-9) + N,N'-dimethyl-butane-1,3-diamine (57757-16-1) + γ-methylaminobutanol (2704-55-4)

Guidance literature:

pH:7.5; anschliessende Reduktion mit Natriumamalgam in saurer Loesung unterhalb 10grad; reagiert analog mit Dimethylamin-hydrochlorid;

Reference yield:

γ-methylaminobutanol (2704-55-4) → N-(3-chloro-4-fluorophenyl)-9,10-dimethyl-11-oxo-1,3,4,7,8,9,10,11-octahydro-2H-pyrido[4',3':3,4]pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

Guidance literature:

Multi-step reaction with 4 steps

1: N-ethyl-N,N-diisopropylamine; HATU / N,N-dimethyl-formamide / 10 h / 80 °C / Inert atmosphere

2: di-isopropyl azodicarboxylate; tributylphosphine / tetrahydrofuran / 12 h / 80 °C / Inert atmosphere

3: dichloromethane / 2 h / 15 °C / Inert atmosphere

4: triethylamine / dichloromethane / 10 h / 25 °C / Inert atmosphere

With tributylphosphine; di-isopropyl azodicarboxylate; triethylamine; N-ethyl-N,N-diisopropylamine; HATU; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide;

upstream raw materials:

methylamine hydrochloride

crotonaldehyde

water

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