1-Piperidinepropanol

Base Information

• Chemical Name: 1-Piperidinepropanol
• CAS No.: 104-58-5
• Molecular Formula: C8H17 N O
• Molecular Weight: 143.229
• Hs Code.: 2933399090
• European Community (EC) Number: 203-216-5
• NSC Number: 66531
• DSSTox Substance ID: DTXSID70146207
• Nikkaji Number: J182.181D
• Wikidata: Q72500448
• Mol file: 104-58-5.mol

Synonyms:1-Piperidinepropanol;104-58-5;3-(piperidin-1-yl)propan-1-ol;3-piperidin-1-ylpropan-1-ol;3-Piperidinopropanol;Piperidine-1-propanol;1-(3-Hydroxypropyl)piperidine;3-(1-Piperidinyl)propanol;1-piperidine propanol;gamma-Piperidinopropanol;gamma-Piperidinopropanol [German];3-Piperidino-1-propanol;EINECS 203-216-5;1-Propanol, 3-piperidino-;BRN 0001275;MFCD00023781;5-20-02-00160 (Beilstein Handbook Reference);piperidinepropanol;NSC66531;piperidin-1-propanol;3-hydroxypropylpiperidine;3-piperidinopropan-1-ol;1-Piperidine-1-propanol;3-(1-Piperidino)propanol;3-piperidin-1-yl-propanol;SCHEMBL9400;3-(piperdin-1-yl)propanol;1-Piperidinepropanol, 97%;3-(1-piperidinyl)-1-propanol;3-Piperidin-1-yl-propan-1-ol;DTXSID70146207;(3-hydroxy-prop-1-yl)-piperidine;1-(3-Hydroxyprop-1-yl)piperidine;3-(piperidin-1-yl) propan-1-ol;BCP24380;CS-M2498;NSC 66531;NSC-66531;AKOS004119315;DS-5190;SB17951;AC-17215;SY001213;LS-115989;FT-0631573;EN300-55444;J-001200;Z169222610

Chemical Property of 1-Piperidinepropanol

Chemical Property:

• Vapor Pressure: 0.00777mmHg at 25°C
• Refractive Index: n20/D 1.4775(lit.)
• Boiling Point: 94-95 °C0.5 mm Hg(lit.)
• PKA: 15.12±0.10(Predicted)
• Flash Point: 208 °F
• PSA: 23.47000
• Density: 0.944 g/mL at 25 °C(lit.)
• LogP: 0.79260
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 143.131014166
• Heavy Atom Count: 10
• Complexity: 79.3

Purity/Quality:

99% ^*data from raw suppliers

1-Piperidinepropanol ^*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:

• Canonical SMILES: C1CCN(CC1)CCCO
• Uses: Reactant in: Mitsunobu reaction of intramolecular nitrile oxide-alkene cycloadditions1 Suzuki-coupling2Reactant for synthesis of: Histamine H3 receptor antagonists3 Protein lysine methyltransferase G9a inhibitors4 Serotonin-4 receptors antagonists5 Checkpoint kinase Chk2 inhibitors6 1-Piperidinepropanol is used in preparation of Ionizable Amine lipids for lipid Nanoparticle compounds that deliver Nucleic Acids.

Technology Process of 1-Piperidinepropanol

There total 20 articles about 1-Piperidinepropanol 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: 100.0%

→ 3-piperidinopropan-1-ol (104-58-5)

Guidance literature:

Reference yield: 93.0%

trimethylene oxide (503-30-0) + piperidine (110-89-4) → 3-piperidinopropan-1-ol (104-58-5)

Guidance literature:

With lithium tetrafluoroborate; In acetonitrile; for 23h; Ambient temperature;

DOI:10.1016/S0040-4039(00)75811-4

Reference yield: 85.0%

piperidine (110-89-4) + 1-chloro-3-hydroxypropane (627-30-5) → 3-piperidinopropan-1-ol (104-58-5)

Guidance literature:

With potassium iodide; In acetone; for 12h; Heating;

upstream raw materials:

trimethylene oxide

piperidine

n-butyl magnesium bromide

sodium allyloxide

Downstream raw materials:

1-(3-chloropropyl)piperidine hydrochloride

1-methanesulfonyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-1H-indole

1-[3-(4-benzyloxy-phenoxy)-propyl]-piperidine

C₂₁H₂₇N₃O₄S

Refernces

• 1、 Wright. "-". . p. 1042. Retrieved 1962.
• 2、 Lipani, Luca,Odadzic, Dalibor,Weizel, Lilia,Schwed, Johannes-Stephan,Sadek, Bassem,Stark, Holger. "Studies on molecular properties prediction and histamine H3 receptor affinities of novel ligands with uracil-based motifs". . p. 578 - 588. Retrieved 2014.
• 3、 Cossy, Janine,Guha, Madhumita. "Intramolecular Quenching of Iminium Ions Generated by Photooxidation of Aminoalcohols with Ketones. A New Synthesis of Oxazines and Oxazoles". . p. 1715 - 1718. Retrieved 1994.
• 4、 Hamilton,Adams. "-". . p. 2260,2263. Retrieved 1928.
• 5、 Falkenstein, Markus,Reiner-Link, David,Zivkovic, Aleksandra,Gering, Ian,Willbold, Dieter,Stark, Holger. "Histamine H3 receptor antagonists with peptidomimetic (keto)piperazine structures to inhibit Aβ oligomerisation". . . Retrieved 2021/10/29.
• 6、 Das, Kuhali,Sarkar, Koushik,Maji, Biplab. "Manganese-Catalyzed Anti-Markovnikov Hydroamination of Allyl Alcohols via Hydrogen-Borrowing Catalysis". . p. 7060 - 7069. Retrieved 2021/06/30.