5-(Benzyloxy)-2-(chloromethyl)pyridine

Base Information

• Chemical Name: 5-(Benzyloxy)-2-(chloromethyl)pyridine
• CAS No.: 127590-90-3
• Molecular Formula: C13H12ClNO
• Molecular Weight: 233.697
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID90591290
• Wikidata: Q82485036
• Mol file: 127590-90-3.mol

Synonyms:5-(benzyloxy)-2-(chloromethyl)pyridine;127590-90-3;2-(chloromethyl)-5-phenylmethoxypyridine;5-(Benzyloxy)-2-(chloromethyl) pyridine;5-Benzyloxy-2-chloromethyl-pyridine;Pyridine, 2-(chloromethyl)-5-(phenylmethoxy)-;5-benzyloxy-2-chloromethylpyridine;SCHEMBL510634;DTXSID90591290;CTWNTPDUEZHHNW-UHFFFAOYSA-N;2-chloromethyl-5-benzyloxypyridine;CFA59090;MFCD10697535;AKOS015909910;AB10243;AB59860;3-(benzyloxy)-6-(chloromethyl)pyridine;AS-44458

Chemical Property of 5-(Benzyloxy)-2-(chloromethyl)pyridine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.584
• Boiling Point: 365.403 °C at 760 mmHg
• Flash Point: 174.79 °C
• PSA: 22.12000
• Density: 1.198 g/cm³
• LogP: 3.39940
• Storage Temp.: 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 233.0607417
• Heavy Atom Count: 16
• Complexity: 194

Purity/Quality:

98%min ^*data from raw suppliers

5-(Benzyloxy)-2-(chloromethyl)Pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC2=CN=C(C=C2)CCl

Technology Process of 5-(Benzyloxy)-2-(chloromethyl)pyridine

There total 4 articles about 5-(Benzyloxy)-2-(chloromethyl)pyridine 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:

(5-(benzyloxy)pyridin-2-yl)methanol (59781-11-2) → 3-(benzyloxy)-6-(chloromethyl)pyridine (127590-90-3)

Guidance literature:

With hydrogenchloride; thionyl chloride; at 0 ℃; for 4h;

DOI:10.1021/jm00081a009

Reference yield:

5-(benzyloxy)-2-methylpyridine 1-oxide (59781-09-8) → 3-(benzyloxy)-6-(chloromethyl)pyridine (127590-90-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: acetic anhydride / 12 h / 90 °C

1.2: 0 - 20 °C

2.1: thionyl chloride / dichloromethane / 0 - 20 °C

With thionyl chloride; acetic anhydride; In dichloromethane;

DOI:10.1021/jm200363d

Reference yield:

5-benzyloxy-2-methyl-pyridine (63793-98-6) → 3-(benzyloxy)-6-(chloromethyl)pyridine (127590-90-3)

Guidance literature:

Multi-step reaction with 3 steps

1.1: 3-chloro-benzenecarboperoxoic acid / chloroform / 5 h

2.1: acetic anhydride / 12 h / 90 °C

2.2: 0 - 20 °C

3.1: thionyl chloride / dichloromethane / 0 - 20 °C

With thionyl chloride; acetic anhydride; 3-chloro-benzenecarboperoxoic acid; In dichloromethane; chloroform;

DOI:10.1021/jm200363d

upstream raw materials:

(5-(benzyloxy)pyridin-2-yl)methanol

5-benzyloxy-2-methyl-pyridine

5-(benzyloxy)-2-methylpyridine 1-oxide

Downstream raw materials:

5-(benzyloxy)-2-(methoxymethyl)pyridine

3-(5-benzyloxy-pyridin-2-yl)-2-tert-butoxycarbonylamino-propionic acid benzyl ester

((±)-3-(5-(benzyloxy)pyridine-2-yl)-2-(tert-butoxycarbonylamino)propanoic acid)

Refernces

• 1、 -. "PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME". Page/Page column 95. . Retrieved 2009/06/27.
• 2、 -. "ALPHA SUBSTITUTED CARBOXYLIC ACID AS PPAR MODULATORS". Page 115. . Retrieved 2010/02/09.