alpha-Methylpyrrolidine-1-ethanol

Base Information

• Chemical Name: alpha-Methylpyrrolidine-1-ethanol
• CAS No.: 42122-41-8
• Molecular Formula: C7H15NO
• Molecular Weight: 129.202
• Hs Code.: 2933990090
• European Community (EC) Number: 255-665-1
• NSC Number: 163979
• DSSTox Substance ID: DTXSID801307273
• Nikkaji Number: J278.334G
• Mol file: 42122-41-8.mol

Synonyms:1-(pyrrolidin-1-yl)propan-2-ol;42122-41-8;alpha-Methylpyrrolidine-1-ethanol;1-pyrrolidin-1-ylpropan-2-ol;alpha-Methyl-1-pyrrolidineethanol;EINECS 255-665-1;NSC163979;2-hydroxypropyl pyrrolidine;C(C(C)O)N1CCCC1;SCHEMBL65035;1-methyl-2-pyrrolidylethanol;1-PYRROLIDINO-2-PROPANOL;DTXSID801307273;MFCD00020854;AKOS010107407;AT24864;NSC 163979;NSC-163979;CS-11304;EN300-267163

Chemical Property of alpha-Methylpyrrolidine-1-ethanol

Chemical Property:

• Boiling Point: 199.6°Cat760mmHg
• Flash Point: 81.9°C
• PSA: 23.47000
• Density: 0.98g/cm³
• LogP: 0.40090
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 129.115364102
• Heavy Atom Count: 9
• Complexity: 79

Purity/Quality:

99% ^*data from raw suppliers

1-pyrrolidino-2-propanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CN1CCCC1)O

Technology Process of alpha-Methylpyrrolidine-1-ethanol

There total 4 articles about alpha-Methylpyrrolidine-1-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: 94.0%

pyrrolidine (123-75-1) + methyloxirane (75-56-9,16033-71-9) → 1‐(pyrrolidin‐1‐yl)propan‐2‐ol (42122-41-8)

Guidance literature:

In water; at 0 - 20 ℃;

DOI:10.1021/ol051220q

Reference yield:

pyrrolidine (123-75-1) + 1-Chloro-2-propanol (127-00-4) → 1‐(pyrrolidin‐1‐yl)propan‐2‐ol (42122-41-8)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01189a079

Reference yield:

pyrrolidine (123-75-1) + propylene glycol (57-55-6,63625-56-9) → 1‐(pyrrolidin‐1‐yl)propan‐2‐ol (42122-41-8) + di(pyrrolidine-1)-1,2 propane (1822-46-4)

Guidance literature:

With triphenylphosphine; ruthenium trichloride; at 220 ℃; for 15h;

DOI:10.1016/0022-328X(89)85063-6

upstream raw materials:

pyrrolidine

1-Chloro-2-propanol

methyloxirane

propylene glycol

Downstream raw materials:

diphenyl-acetic acid-(β-pyrrolidino-isopropyl ester)

Refernces

• 1、 Lee, Melissa,Sanford, Melanie S.. "Platinum-Catalyzed, Terminal-Selective C(sp3)-H Oxidation of Aliphatic Amines". supporting information. p. 12796 - 12799. Retrieved 2015/10/28.
• 2、 Azizi, Najmodin,Saidi, Mohammad R.. "Highly chemoselective addition of amines to epoxides in water". . p. 3649 - 3651. Retrieved 2007/10/03.