2-Sec-butylpyrrolidine

Base Information

• Chemical Name: 2-Sec-butylpyrrolidine
• CAS No.: 383127-24-0
• Molecular Formula: C₈H₁₇N
• Molecular Weight: 127.23
• Hs Code.: 2933998090
• DSSTox Substance ID: DTXSID801302211
• Mol file: 383127-24-0.mol

Synonyms:2-SEC-BUTYLPYRROLIDINE;383127-24-0;2-butan-2-ylpyrrolidine;2-(butan-2-yl)pyrrolidine;Pyrrolidine, 2-(1-methylpropyl)-;2-sec-Butyl-pyrrolidine;SCHEMBL11627963;2-(SEC-BUTYL)PYRROLIDINE;KCHJATHVAOQQQV-UHFFFAOYSA-N;Pyrrolidine,2-(1-methylpropyl)-;DTXSID801302211;BBL020739;STK893429;AKOS000159245;AKOS022060535;VS-07114;CS-0275693;EN300-1263913;A824100

Chemical Property of 2-Sec-butylpyrrolidine

Chemical Property:

• PSA: 12.03000
• LogP: 2.11330
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 127.136099547
• Heavy Atom Count: 9
• Complexity: 80.6

Purity/Quality:

99% ^*data from raw suppliers

2-sec-butylpyrrolidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(C)C1CCCN1

Technology Process of 2-Sec-butylpyrrolidine

There total 6 articles about 2-Sec-butylpyrrolidine 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:

5-(but-1-en-2-yl)-3,4-dihydro-2H-pyrrole trifluoroacetate → 2-sec-butyl-pyrrolidine (383127-24-0)

Guidance literature:

5-(but-1-en-2-yl)-3,4-dihydro-2H-pyrrole trifluoroacetate; With D-glucose; PRO-ERED₀₈ imine reductase; dimethyl sulfoxide; In aq. phosphate buffer; at 25 ℃; for 24h; pH=7; Enzymatic reaction;

With (R)-IRED imine reductase; In aq. phosphate buffer; at 25 ℃; for 12h; pH=7; Reagent/catalyst;

DOI:10.1021/jacs.9b10053

Reference yield:

(E)-5-(but-2-en-2-yl)-3,4-dihydro-2H-pyrrole trifluoroacetate → 2-sec-butyl-pyrrolidine (383127-24-0)

Guidance literature:

(E)-5-(but-2-en-2-yl)-3,4-dihydro-2H-pyrrole trifluoroacetate; With D-glucose; PETNR Old Yellow Enzyme; dimethyl sulfoxide; In aq. phosphate buffer; at 25 ℃; for 24h; pH=7; Enzymatic reaction;

With (R)-IRED imine reductase; In aq. phosphate buffer; at 25 ℃; for 12h; pH=7; Reagent/catalyst;

DOI:10.1021/jacs.9b10053

Reference yield:

1-(3-methoxy-propyl)-2-methyl-butylamine → 2-sec-butyl-pyrrolidine (383127-24-0)

Guidance literature:

With water; hydrogen bromide; at 150 ℃;

upstream raw materials:

hydrogen bromide

Downstream raw materials:

2-sec-butyl-1-methyl-pyrrolidine

Refernces