4-(Methylamino)butan-1-ol

Base Information

• Chemical Name: 4-(Methylamino)butan-1-ol
• CAS No.: 42042-68-2
• Molecular Formula: C5H13NO
• Molecular Weight: 103.164
• Hs Code.: 2922199090
• European Community (EC) Number: 820-365-7
• DSSTox Substance ID: DTXSID20431413
• Wikidata: Q82245275
• Mol file: 42042-68-2.mol

Synonyms:4-(Methylamino)butan-1-ol;42042-68-2;4-METHYLAMINO BUTANOL;4-methylaminobutanol;4-(methylamino)-1-butanol;MFCD00673140;4-(methylamino)butanol;n-methyl-4-aminobutanol;4-methylamino-butan-1-ol;n-methyl-4-hydroxybutylamine;SCHEMBL178401;4-(N-methylamino)butan-1-ol;N-Methyl-N-4-hydroxybutylamin;DTXSID20431413;DBKSSENEKWOVKL-UHFFFAOYSA-N;AKOS010934644;CS-W006493;BS-12744;SY117259;EN300-173685;F10210;A872956;Z839096662

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

Chemical Property:

• Vapor Pressure: 0.568mmHg at 25°C
• Boiling Point: 167.18oC at 760 mmHg
• PKA: 15.14±0.10(Predicted)
• Flash Point: 67.237oC
• PSA: 32.26000
• Density: 0.879g/cm3
• LogP: 0.36920
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 103.099714038
• Heavy Atom Count: 7
• Complexity: 31.3

Purity/Quality:

97% ^*data from raw suppliers

4-(Methylamino)butan-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCCCCO

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

There total 2 articles about 4-(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:

methanol (67-56-1) + 4-Aminobutanol (13325-10-5) → pyrrolidine (123-75-1) + 4-(N-methylamino)butan-1-ol (42042-68-2) + 4-dimethylamino-1-butanol (13330-96-6)

Guidance literature:

With Cs-P-Si mixed-oxide; at 300 ℃; under 61504.9 Torr; Title compound not separated from byproducts;

DOI:10.1002/1521-3773(20020916)41:18<3476::AID-ANIE3476>3.0.CO;2-5

Reference yield:

Butane-1,4-diol (110-63-4) + methylamine (74-89-5) → tetrahydrofuran (109-99-9,24979-97-3,77392-70-2) + 1-Methylpyrrolidine (120-94-5) + 4-(N-methylamino)butan-1-ol (42042-68-2)

Guidance literature:

CrZMS-5; at 300 ℃; for 3h;

DOI:10.1021/jo00093a035

Reference yield: 82.0%

4-(N-methylamino)butan-1-ol (42042-68-2) + 2-chloro-5,6-diphenylpyrazine (41270-66-0) → 4-[(5,6-diphenylpyrazin-2-yl)(methyl)amino]-1-butanol

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 40h;

DOI:10.1016/j.bmc.2007.08.010

upstream raw materials:

Butane-1,4-diol

methylamine

methanol

4-Aminobutanol

Downstream raw materials:

Diphenylessigsaeure-<2-(methyl-<4-chlor-butyl>-amino)-aethylester>

Benzilsaeure-<<2--aethylester>>

N-methyl-N-(4-hydroxybutyl)nitrosamine

4-dimethylamino-1-butanol