3-Pyrrolidino-1,2-propanediol

Base Information

• Chemical Name: 3-Pyrrolidino-1,2-propanediol
• CAS No.: 85391-19-1
• Molecular Formula: C7H16NO2+
• Molecular Weight: 145.202
• Hs Code.: 2933990090
• European Community (EC) Number: 286-772-1
• DSSTox Substance ID: DTXSID601005855
• Nikkaji Number: J267.470J
• ChEMBL ID: CHEMBL1471773
• Mol file: 85391-19-1.mol

Synonyms:3-Pyrrolidino-1,2-propanediol;85391-19-1;3-(pyrrolidin-1-yl)propane-1,2-diol;3-pyrrolidin-1-ylpropane-1,2-diol;EINECS 286-772-1;3-(1-Pyrrolidinyl)propane-1,2-diol;3-Pyrrolidin-1-yl-propane-1,2-diol;1,2-Propanediol, 3-(1-pyrrolidinyl)-;Oprea1_156486;SCHEMBL10477;MLS000775990;3-Pyrrolizino-1,2-propanediol;CHEMBL1471773;DTXSID601005855;HMS2806D13;BBL010711;STK525238;AKOS005459003;3-(pyrrolidine-1-yl)propane-1,2-diol;3-(1-Pyrrolidinyl)-1,2-propanediol #;NCGC00246415-01;SMR000439980;VS-02634;CS-0236310;FT-0642002;3-PYRROLIDINO-1-YL-1,2-PROPANE-DIOL;EN300-1702807

Chemical Property of 3-Pyrrolidino-1,2-propanediol

Chemical Property:

• Vapor Pressure: 0.00327mmHg at 25°C
• Melting Point: 43-48oC
• Refractive Index: 1.4638 (estimate)
• Boiling Point: 158 °C (30 mmHg)
• PKA: 14.00±0.20(Predicted)
• Flash Point: 135.6°C
• PSA: 43.70000
• Density: 1.0708 (rough estimate)
• LogP: -0.62670
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 145.110278721
• Heavy Atom Count: 10
• Complexity: 91.6

Purity/Quality:

98%min ^*data from raw suppliers

3-(pyrrolidin-1-yl)propane-1,2-diol ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)CC(CO)O

Technology Process of 3-Pyrrolidino-1,2-propanediol

There total 2 articles about 3-Pyrrolidino-1,2-propanediol 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:

C10H19NO2 → 3-azacyclopentyl-1,2-propanediol (85391-19-1)

Guidance literature:

C₁₀H₁₉NO₂; With hydrogenchloride; water; at 20 ℃;

With sodium methylate; In methanol; at 20 ℃;

DOI:10.1016/j.mencom.2019.01.008

Reference yield:

→ 3-azacyclopentyl-1,2-propanediol (85391-19-1)

Guidance literature:

With acetic acid; platinum; Hydrogenation;

Reference yield:

3-azacyclopentyl-1,2-propanediol (85391-19-1) + 1-chloro-3,7-dimethylocta-2,6-diene (5389-87-7) → C27H47NO2

Guidance literature:

3-azacyclopentyl-1,2-propanediol; With sodium hydride; In tetrahydrofuran; for 0.25h;

1-chloro-3,7-dimethylocta-2,6-diene; In tetrahydrofuran; for 24h; Reflux;

DOI:10.1016/j.mencom.2019.01.008

Downstream raw materials:

4-ethylamino-benzoic acid-(2-hydroxy-3-pyrrolidino-propyl ester)

4-butylamino-benzoic acid-(2-hydroxy-3-pyrrolidino-propyl ester)

4-propylamino-benzoic acid-(2-hydroxy-3-pyrrolidino-propyl ester)

Refernces