1-Benzyl-3-hydroxypyridinium chloride

Base Information

• Chemical Name: 1-Benzyl-3-hydroxypyridinium chloride
• CAS No.: 3323-73-7
• Molecular Formula: C12H12 N O . Cl
• Molecular Weight: 221.686
• Hs Code.: 2933399090
• European Community (EC) Number: 630-902-5
• NSC Number: 77111
• DSSTox Substance ID: DTXSID30456218
• Mol file: 3323-73-7.mol

Synonyms:3323-73-7;1-BENZYL-3-HYDROXYPYRIDINIUM CHLORIDE;1-benzyl-3-hydroxypyridin-1-ium chloride;1-benzylpyridin-1-ium-3-ol;chloride;SCHEMBL3196752;DTXSID30456218;NSC77111;MFCD00011990;NSC-77111;AKOS024370913;AB01082;NS-02702;LS-132669;FT-0719653;EN300-749035;F76881

Chemical Property of 1-Benzyl-3-hydroxypyridinium chloride

Chemical Property:

• Melting Point: 162-164 °C(lit.)
• PSA: 24.11000
• LogP: -1.26800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 221.0607417
• Heavy Atom Count: 15
• Complexity: 166

Purity/Quality:

98%min ^*data from raw suppliers

1-Benzyl-3-hydroxypyridiniumChloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Benzyl-3-hydroxypyridinium chloride

There total 2 articles about 1-Benzyl-3-hydroxypyridinium chloride 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: 97.0%

3-HYDROXYPYRIDINE (109-00-2) + benzyl chloride (100-44-7) → 1-Benzyl-3-hydroxypyridinium chloride (3323-73-7)

Guidance literature:

at 110 ℃;

DOI:10.2174/1570178616666190417115639

Reference yield:

3-HYDROXYPYRIDINE (109-00-2) + benzyl chloride (100-44-7) → 3-benzyloxypyridine (76509-17-6) + 1-Benzyl-3-hydroxypyridinium chloride (3323-73-7)

Guidance literature:

With potassium hydroxide; In water; dimethyl sulfoxide; at 50 ℃; Rate constant; Thermodynamic data; ΔH(excit.), ΔS(excit.), activation energy;

Reference yield:

1-Benzyl-3-hydroxypyridinium chloride (3323-73-7) → 1-benzyl-3-hydroxypiperidine (14813-01-5)

Guidance literature:

With methanol; rhodium contaminated with carbon; Hydrogenation;

DOI:10.1021/ja01528a030

upstream raw materials:

3-HYDROXYPYRIDINE

benzyl chloride

Downstream raw materials:

1-benzyl-3-hydroxypiperidine

8-benzyl-2-oxo-8-azabicyclo<3.2.1>oct-3-ene-6-endo-carbonitrile

Refernces

• 1、 Zhang, Jinjin,Huang, Baohua,Lu, Yujing,Li, Wenbin,Zhuang, Zichong,Ke, Donghua,Zhong, Jingpeng,Zhou, Jinlin,Chen, Qian. "Synthesis and biological evaluation of isofebrifugine analogues". . p. 1004 - 1010. Retrieved 2019/11/22.
• 2、 Hirai, Shingo,Kikuchi, Haruhisa,Kim, Hye-Sook,Begum, Khurshida,Wataya, Yusuke,Tasaka, Hidehisa,Miyazawa, Yuriko,Yamamoto, Keisuke,Oshima, Yoshiteru. "Metabolites of febrifugine and its synthetic analogue by mouse liver S9 and their antimalarial activity against Plasmodium malaria parasite". . p. 4351 - 4359. Retrieved 2007/10/03.