4-Pyridinepropanol

Base Information

• Chemical Name: 4-Pyridinepropanol
• CAS No.: 2629-72-3
• Molecular Formula: C8H11NO
• Molecular Weight: 137.181
• Hs Code.: 2933399090
• European Community (EC) Number: 220-107-8
• NSC Number: 66565,3720
• DSSTox Substance ID: DTXSID9062564
• Nikkaji Number: J192.145B
• Wikidata: Q72503981
• ChEMBL ID: CHEMBL3229432
• Mol file: 2629-72-3.mol

Synonyms:4-Pyridinepropanol;2629-72-3;3-(Pyridin-4-Yl)Propan-1-Ol;3-pyridin-4-ylpropan-1-ol;3-(4-Pyridyl)propan-1-ol;4-(3-Hydroxypropyl)pyridine;3-(4-Pyridyl)-1-propanol;3-(4-Pyridyl)propanol;3-Pyridin-4-yl-propan-1-ol;NSC 3720;MFCD00047457;EINECS 220-107-8;NSC 66565;AI3-24361;4-hydroxypropylpyridine;4-Pyridinepropanol, 96%;3-(4-pyridyl)-propan-1ol;3-pyrid-4-yl-propan-1-ol;SCHEMBL279761;3-pyridin-4-yl propan-1-ol;3-(4-Pyridinyl)-1-propanol;CHEMBL3229432;DTXSID9062564;NSC3720;3-(4-Pyridinyl)-1-propanol #;BAA00498;NSC-3720;NSC66565;NSC-66565;AKOS000120921;AM81311;CS-W002232;DS-1404;FG-0434;RTE2_000004;SY003677;FT-0619433;P0351;EN300-19847;Q-200509;Z104475752

Chemical Property of 4-Pyridinepropanol

Chemical Property:

• Vapor Pressure: 0.00332mmHg at 25°C
• Melting Point: 35-39 °C(lit.)
• Refractive Index: 1.53
• Boiling Point: 270.673 °C at 760 mmHg
• PKA: 14.92±0.10(Predicted)
• Flash Point: 117.499 °C
• PSA: 33.12000
• Density: 1.059 g/cm³
• LogP: 1.00650
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 137.084063974
• Heavy Atom Count: 10
• Complexity: 79.3

Purity/Quality:

99% ^*data from raw suppliers

4-Pyridinepropanol >97.0%(GC)(T) ^*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

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CN=CC=C1CCCO
• Uses: 4-Pyridinepropanol is used to construct a linear axle containing perfluoro stoppers in the synthesis of a rotaxane from dibenzo-24-crown-8.1

Technology Process of 4-Pyridinepropanol

There total 23 articles about 4-Pyridinepropanol 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: 89.0%

ethyl bromide (74-96-4) + L-Cysteine (52-90-4) → S-ethyl-L-cysteine (2629-59-6)

Guidance literature:

With N,N,N',N'-tetramethylguanidine; In tetrahydrofuran; at 50 ℃; for 1h; Inert atmosphere;

DOI:10.1016/j.tetlet.2010.08.097

Reference yield: 83.0%

L-serin (56-45-1,83245-15-2) + ethanethiol (75-08-1) → S-ethyl-L-cysteine (2629-59-6)

Guidance literature:

With potassium phosphate buffer; pyridoxal 5'-phosphate; at 37 ℃; for 12h; α₂β₂ complex of tryptophan synthase from Escherichia coli;

Reference yield: 71.0%

4-pyridinepropanoic acid methyl ester (90610-07-4) → 4-(3-Hydroxypropyl)pyridine (2629-72-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 25 ℃; for 4h; Inert atmosphere;

upstream raw materials:

picoline

4-bromopyridine hydrochloride

3-(9-bora-bicyclo[3.3.1]non-9-yl)-propan-1-ol

4-(chlorocarbonyl)pyridine

Downstream raw materials:

3-[4]pyridyl-pentane-1,5-diol

4-(3-hydroxy-propyl)-1-methyl-pyridinium; bromide

3-(piperidin-4-yl)propan-1-ol

3-pyridin-4-yl-propionic acid