3-Piperidino-1,2-propanediol

Base Information

• Chemical Name: 3-Piperidino-1,2-propanediol
• CAS No.: 4847-93-2
• Molecular Formula: C8H17 N O2
• Molecular Weight: 159.228
• European Community (EC) Number: 225-438-1
• NSC Number: 44276
• DSSTox Substance ID: DTXSID701298809
• Nikkaji Number: J236.377A
• Mol file: 4847-93-2.mol

Synonyms:3-Piperidino-1,2-propanediol;4847-93-2;3-(piperidin-1-yl)propane-1,2-diol;3-piperidin-1-ylpropane-1,2-diol;3-Piperidinopropane-1,2-diol;EINECS 225-438-1;1-N-Piperidino-2,3-propanediol;NSC44276;Oprea1_229021;SCHEMBL64167;1-piperidino-2,3-propanediol;trimethylolpropanetriglycidylether;DTXSID701298809;NSC 44276;NSC-44276;3-(1-Piperidinyl)-1,2-propanediol;3-Piperidino-1,2-propanediol, 96%;AKOS022341848;1,2-Propanediol, 3-(1-piperidinyl)-;3-(1-Piperidinyl)-1,2-propanediol #;FT-0635462

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

Chemical Property:

• Vapor Pressure: 0.000415mmHg at 25°C
• Melting Point: 77-80 °C(lit.)
• Refractive Index: 1.4476 (estimate)
• Boiling Point: 281.7°Cat760mmHg
• PKA: 14.26±0.20(Predicted)
• Flash Point: 140.9°C
• PSA: 43.70000
• Density: 1.083g/cm³
• LogP: -0.23660
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 159.125928785
• Heavy Atom Count: 11
• Complexity: 102

Purity/Quality:

98%min ^*data from raw suppliers

3-Piperidino-1,2-propanediol 96% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25-37/38-41
• Safety Statements: 26-39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)CC(CO)O

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

There total 6 articles about 3-Piperidino-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: 77.0%

1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]piperidine → 3-piperidin-1-yl-propane-1,2-diol (4847-93-2)

Guidance literature:

1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]piperidine; With hydrogenchloride; water; at 20 ℃;

With sodium methylate; In methanol; at 20 ℃;

DOI:10.1016/j.mencom.2019.01.008

Reference yield:

pyridine (110-86-1) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → 3-piperidin-1-yl-propane-1,2-diol (4847-93-2)

Guidance literature:

With nickel; at 220 ℃; under 66195.7 Torr; Hydrogenation;

Reference yield:

piperidine (110-89-4) + oxiranyl-methanol (556-52-5) → 3-piperidin-1-yl-propane-1,2-diol (4847-93-2)

Guidance literature:

DOI:10.1021/ja01367a034

upstream raw materials:

piperidine

oxiranyl-methanol

3-monochloro-1,2-propanediol

pyridine

Downstream raw materials:

(2-ethoxy-phenyl)-carbamic acid-(2-hydroxy-3-piperidino-propyl ester)

1-mesitylcarbamoyloxy-2-phenylcarbamoyloxy-3-piperidino-propane

(2-butoxy-phenyl)-carbamic acid-(2-hydroxy-3-piperidino-propyl ester)

(3-butoxy-phenyl)-carbamic acid-(2-hydroxy-3-piperidino-propyl ester)

Refernces