4-(Dimethylamino)butan-1-ol

Base Information

• Chemical Name: 4-(Dimethylamino)butan-1-ol
• CAS No.: 13330-96-6
• Molecular Formula: C6H15NO
• Molecular Weight: 117.191
• Hs Code.: 2922.19
• European Community (EC) Number: 236-380-1
• NSC Number: 165645
• DSSTox Substance ID: DTXSID20158052
• Nikkaji Number: J208.391D
• Wikidata: Q83026208
• Mol file: 13330-96-6.mol

Synonyms:4-(Dimethylamino)butan-1-ol;13330-96-6;4-Dimethylamino-1-butanol;4-(Dimethylamino)-1-butanol;1-Butanol, 4-(dimethylamino)-;4-Dimethylaminobutan-1-ol;EINECS 236-380-1;4-(N,N-dimethylamino)butan-1-ol;4-(N,N-dimethylamino]butan-1-ol;NSC165645;4-dimethylaminobutanol;4-(Dimethylamino)butanol;C(CCCO)N(C)C;SCHEMBL9413;4-(N,N-dimethylamino)butanol;AMY9644;DTXSID20158052;MFCD00020624;AKOS009156367;CS-W022016;NSC 165645;NSC-165645;AS-20034;D1659;FT-0725923;O11091;4-(Dimethylamino)-1-butanol, >=97.0% (GC);EN300-1852954;A888138;J-006346

Chemical Property of 4-(Dimethylamino)butan-1-ol

Chemical Property:

• Appearance/Colour: clear liquid
• Vapor Pressure: 0.682mmHg at 25°C
• Refractive Index: 1.44
• Boiling Point: 164 °C at 760 mmHg
• PKA: 15.13±0.10(Predicted)
• Flash Point: 45.7 °C
• PSA: 23.47000
• Density: 0.885 g/cm³
• LogP: 0.32050
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 117.115364102
• Heavy Atom Count: 8
• Complexity: 45.8

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Dimethylamino-1-butanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCCCO

Technology Process of 4-(Dimethylamino)butan-1-ol

There total 16 articles about 4-(Dimethylamino)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: 78.0%

4-Chloro-1-butanol (928-51-8) + dimethyl amine (124-40-3) → 4-dimethylamino-1-butanol (13330-96-6)

Guidance literature:

In diethyl ether; at 120 ℃; for 8h;

Reference yield:

4-butanolide (96-48-0) + dimethyl amine (124-40-3) → 4-dimethylamino-1-butanol (13330-96-6)

Guidance literature:

at 150 ℃; Erwaermen des Reaktionsprodukts mit Lithiumalanat in Aether;

DOI:10.1021/jo01361a027

Reference yield:

(E)-4-(dimethylamino)but-2-en-1-ol (35956-53-7) → 4-dimethylamino-1-butanol (13330-96-6)

Guidance literature:

With hydrogenchloride; platinum; Hydrogenation;

DOI:10.1021/ja01577a049

upstream raw materials:

4-butanolide

dimethyl amine

(E)-4-(dimethylamino)but-2-en-1-ol

4-(Dimethylamino)-1-butyl acetate

Downstream raw materials:

dicyclohexyl-carbamic acid-(4-dimethylamino-butyl ester)

Diphenyl-acetic acid 4-dimethylamino-butyl ester

4-hydroxy-N,N,N-trimethylbutan-1-aminium 4-methylbenzenesulfonate

4-chloro-N,N-dimethylbutan-1-amine hydrochloride

Refernces

• 1、 Baeckvall,J.-E.. "". . p. 2225 - 2228. Retrieved 1975.
• 2、 Lukac, Milos,Mrva, Martin,Fischer-Fodor, Eva,Lacko, Ivan,Bukovsky, Marian,Miklasova, Natalia,Ondriska, Frantisek,Devinsky, Ferdinand. "Synthesis and biological activity of dialkylphosphocholines". scheme or table. p. 6346 - 6349. Retrieved 2010/06/11.
• 3、 Hoffman, Robert V.,Salvador, James M.. "Addition-Rearrangement Reactions of N-(Arylsulphonyloxy)amines and 3,4-Dihydro-2H-pyran". . p. 1375 - 1380. Retrieved 2007/10/02.