2-Piperidinemethanol

Base Information

• Chemical Name: 2-Piperidinemethanol
• CAS No.: 3433-37-2
• Molecular Formula: C6H13NO
• Molecular Weight: 115.175
• Hs Code.: 29333990
• European Community (EC) Number: 222-333-2
• DSSTox Substance ID: DTXSID70871027
• Nikkaji Number: J5.197G
• Mol file: 3433-37-2.mol

Synonyms:2-Piperidinemethanol;3433-37-2;Piperidin-2-ylmethanol;2-(Hydroxymethyl)piperidine;2-Hydroxymethylpiperidine;2-Piperidinylmethanol;Piperidin-2-Yl-Methanol;piperidine-2-methanol;MFCD00005987;EINECS 222-333-2;MFCD11036291;MFCD11036292;2-piperidine methanol;2-Piperidinylmethanol #;(piperidin-2-yl)methanol;(R)-2-Piperidylmethanol;2-hydroxymethyl piperidine;2-hydroxymethyl-piperidine;(S)-2-Piperidinemethanol;(rs)-2-piperidinemethanol;racemic 2-piperidinemethanol;2-Piperidinemethanol, 97%;racemic piperidin-2-methanol;SCHEMBL94571;2-(hydroxymethyl)-piperidine;2-Piperidine-methanol (2-(Hydroxymethyl)-piperidine);PRAYXGYYVXRDDW-UHFFFAOYSA-;DTXSID70871027;STK067797;AKOS000119825;AKOS016050687;CS-W013620;SB42926;SB43031;SB43080;AC-22477;AS-14492;SY009271;SY105311;SY105317;AM20090530;FT-0608825;P1017;EN300-20055;A19470;A822832;W-106740;Z104476610

Chemical Property of 2-Piperidinemethanol

Chemical Property:

• Appearance/Colour: White to slightly brown solid
• Vapor Pressure: 0.0225mmHg at 25°C
• Melting Point: 68-70 °C(lit.)
• Refractive Index: 1.4775 (estimate)
• Boiling Point: 221.2 °C at 760 mmHg
• PKA: 15.08±0.10(Predicted)
• Flash Point: 90.9 °C
• PSA: 32.26000
• Density: 0.951 g/cm³
• LogP: 0.44960
• Storage Temp.: Room temperature.
• Solubility.: soluble in Methanol
• Water Solubility.: Slightly soluble in water.
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 115.099714038
• Heavy Atom Count: 8
• Complexity: 65.5

Purity/Quality:

98% ^*data from raw suppliers

2-Hydroxymethylpiperidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Amino Alcohols, Other
• Canonical SMILES: C1CCNC(C1)CO
• Uses: 2-Piperidinemethanol was used in the synthesis of 3-phenyloctahydropyrido[2,1-c][1,4]oxazine hydrochloride and the 10R and 10S diastereomers.

Technology Process of 2-Piperidinemethanol

There total 11 articles about 2-Piperidinemethanol 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: 88.0%

ethyl 6-oxopiperidine-2-carboxylate (127274-92-4) → piperidin-2-ylmethanol (3433-37-2)

Guidance literature:

With lithium aluminium tetrahydride;

DOI:10.1002/jhet.5570260338

Reference yield: 35.0%

→ piperidin-2-ylmethanol (3433-37-2)

Guidance literature:

Reference yield:

ethyl-2-picolinate (2524-52-9,1228273-66-2) → piperidin-2-ylmethanol (3433-37-2)

Guidance literature:

With ethanol; sodium;

DOI:10.1021/ja01872a028

upstream raw materials:

ethyl-2-picolinate

ethyl pipecolate

ethyl 6-oxopiperidine-2-carboxylate

N-benzoyl-2-<(benzoyloxy)methyl>piperidine

Downstream raw materials:

perhydro-oxazolo<3,4-a>pyridine

1,2,3,4,4a,5-hexahydro-pyrido[1',2':4,5][1,4]oxazino[2,3-b]quinoxaline

2-phenyl-hexahydro-spiro[cycloheptane-1,3'-oxazolo[3,4-a]pyridine]

3-benzyl-hexahydro-oxazolo[3,4-a]pyridine

Refernces

A modular reaction pairing approach to the diversity-oriented synthesis of fused- and bridged-polycyclic sultams

10.1021/ol201962n

The research aims to develop a new method for synthesizing a diverse collection of benzofused sultams, which are cyclic sulfonamides with potential applications in drug discovery. The study employs a reaction pairing strategy involving a triad of reactions: sulfonylation, SNAr addition, and Mitsunobu alkylation. By varying the order of these reactions and using different building blocks such as o-fluorobenzenesulfonyl chlorides, amines, and alcohols, the researchers were able to generate a variety of tricyclic and bicyclic benzofused sultams. Key chemicals used include (S)-prolinol, propargylamine, (R)-(t)-3-hydroxypyrrolidine, and 2-piperidinemethanol. The study concludes that this approach allows for rapid and efficient synthesis of diverse sultam scaffolds in just 2-3 steps, making it highly suitable for high-throughput screening (HTS) in drug discovery. The synthesized compounds were found to be structurally diverse and unique compared to existing analogs, as demonstrated through chemical informatics analysis.