1-Benzyl-3-hydroxypyridinium bromide

Base Information

• Chemical Name: 1-Benzyl-3-hydroxypyridinium bromide
• CAS No.: 62214-78-2
• Molecular Formula: C12H12BrNO
• Molecular Weight: 266.137
• NSC Number: 657813
• ChEMBL ID: CHEMBL1994942
• Mol file: 62214-78-2.mol

Synonyms:1-Benzyl-3-hydroxypyridinium bromide;62214-78-2;1-benzyl-3-hydroxypyridin-1-ium bromide;N-Benzyl-3-hydroxypyridinium bromide;1-benzylpyridin-1-ium-3-ol;bromide;Pyridinium, 1-benzyl-3-hydroxy-, bromide;NSC657813;C12H12NO.Br;SCHEMBL6981181;C12-H12-N-O.Br;CHEMBL1994942;MFCD00243979;AKOS005098506;NSC-657813;1-benzyl-3-hydroxypyridin-1-iumbromide;LS-132229;LS-132668;7G-945;Pyridinium, 3-hydroxy-1-(phenylmethyl)-, bromide

Chemical Property of 1-Benzyl-3-hydroxypyridinium bromide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 24.11000
• Density: g/cm³
• LogP: -1.26800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 265.01023
• Heavy Atom Count: 15
• Complexity: 166

Purity/Quality:

99% ^*data from raw suppliers

1-BENZYL-3-HYDROXYPYRIDINIUM BROMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)O.[Br-]

Technology Process of 1-Benzyl-3-hydroxypyridinium bromide

There total 1 articles about 1-Benzyl-3-hydroxypyridinium bromide 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: 99.0%

3-HYDROXYPYRIDINE (109-00-2) + benzyl bromide (100-39-0) → 1-benzyl-3-hydroxypyridin-1-ium bromide (62214-78-2)

Guidance literature:

In isopropyl alcohol; for 16h; Reflux; Inert atmosphere;

DOI:10.1016/j.bmc.2020.115442

Reference yield: 99.0%

1-benzyl-3-hydroxypyridin-1-ium bromide (62214-78-2) → 1-benzyl-3-hydroxypiperidine (14813-01-5)

Guidance literature:

With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; triethylammonium formate; potassium iodide; In dichloromethane; at 40 ℃; for 24h; Sealed tube;

DOI:10.1002/adsc.201201034

Reference yield: 97.0%

1-benzyl-3-hydroxypyridin-1-ium bromide (62214-78-2) → 1-benzyl-3-piperidone (40114-49-6)

Guidance literature:

With bis(1,5-cyclooctadiene)diiridium(I) dichloride; hydrogen; sodium hydrogencarbonate; triphenylphosphine; In 1,2-dichloro-ethane; at 50 ℃; for 20h; under 31029.7 Torr;

DOI:10.1021/acs.orglett.5b00276

upstream raw materials:

3-HYDROXYPYRIDINE

benzyl bromide

Downstream raw materials:

N-benzyl-3-oxypyridinium betaine

6-benzyl-3-chloro-2-oxo-2,6-dihydrofuro<2,3-c>pyridine

4-benzyl-2-oxo-3-phenyl-2,4-dihydrofuro<3,2-b>pyridine

6-benzyl-2-oxo-3-phenyl-2,6-dihydrofuro<2,3-c>pyridine

Refernces

• 1、 -. "A benidipine hydrochloride method for synthesizing intermediate". Paragraph 0030-0032. . Retrieved 2018/07/30.
• 2、 Huang, Wen-Xue,Wu, Bo,Gao, Xiang,Chen, Mu-Wang,Wang, Baomin,Zhou, Yong-Gui. "Iridium-catalyzed selective hydrogenation of 3-hydroxypyridinium salts: A facile synthesis of piperidin-3-ones". supporting information. p. 1640 - 1643. Retrieved 2015/04/14.