(5-Methylpyridin-3-yl)methanol

Base Information

• Chemical Name: (5-Methylpyridin-3-yl)methanol
• CAS No.: 102074-19-1
• Molecular Formula: C7H9NO
• Molecular Weight: 123.155
• Hs Code.: 2933399090
• European Community (EC) Number: 818-146-6
• DSSTox Substance ID: DTXSID90474852
• Wikidata: Q72496643
• Mol file: 102074-19-1.mol

Synonyms:(5-methylpyridin-3-yl)methanol;102074-19-1;5-Methyl-3-pyridinemethanol;3-HYDROXYMETHYL-5-METHYLPYRIDINE;3-Pyridinemethanol, 5-methyl-;MFCD08236816;BUTYL4-BROMOBUTYRATE;SCHEMBL1630903;DTXSID90474852;MRQAYFYTWNIVFN-UHFFFAOYSA-N;BCP16511;CEA07419;SC5056;(5-METHYL-3-PYRIDYL)METHANOL;AKOS006285524;DS-6641;PB10532;AM802845;CS-0040539;FT-0692270;EN300-142061;A896909;J-501604

Chemical Property of (5-Methylpyridin-3-yl)methanol

Chemical Property:

• Vapor Pressure: 0.008mmHg at 25°C
• Refractive Index: 1.545
• Boiling Point: 255.924 °C at 760 mmHg
• PKA: 13.70±0.10(Predicted)
• Flash Point: 108.579 °C
• PSA: 33.12000
• Density: 1.092 g/cm³
• LogP: 0.88230
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 123.068413911
• Heavy Atom Count: 9
• Complexity: 85

Purity/Quality:

98%,99%, ^*data from raw suppliers

(5-Methylpyridin-3-yl)methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:
• Hazard Codes: R36/37/38:
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CN=C1)CO

Technology Process of (5-Methylpyridin-3-yl)methanol

There total 5 articles about (5-Methylpyridin-3-yl)methanol 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%

5-methylnicotinic acid methyl ester (29681-45-6) → (5-methylpyridin-3-yl)methanol (102074-19-1)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at -78 - 20 ℃;

DOI:10.1021/jm049640t

Reference yield: 76.0%

2-chloro-5-methylpyridine-3-carbaldehyde (92444-99-0) → (5-methylpyridin-3-yl)methanol (102074-19-1)

Guidance literature:

With hydrogen; sodium acetate; palladium dichloride; In methanol; at 35 ℃; for 2h; under 760.051 Torr;

DOI:10.1016/j.tetlet.2012.05.054

Reference yield:

5-methylnicotinic acid (3222-49-9) → (5-methylpyridin-3-yl)methanol (102074-19-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 73 percent / hydrogen chloride / Heating

2: 80 percent / LAH / diethyl ether / 0.5 h / -78 °C

With hydrogenchloride; lithium aluminium tetrahydride; In diethyl ether;

DOI:10.1021/jo00250a019

upstream raw materials:

5-methylnicotinic acid methyl ester

3,5-Lutidine

5-methylnicotinic acid

2-chloro-5-methylpyridine-3-carbaldehyde

Downstream raw materials:

3-(chloromethyl)-5-methylpyridine hydrogen chloride

rupatadine

(2-Amino-3,5-difluoro-phenyl)-(5-methyl-pyridin-3-yl)-methanone

5-methyl-3-pyridinecarboxaldehyde

Refernces

• 1、 -. "Preparation method of rupatadine fumarate intermediate 5-methyl-3-hydroxymethylpyridine". Paragraph 0011; 0035-0038. . Retrieved 2021/08/19.
• 2、 -. "Preparation process of Rupatadine". Paragraph 0055; 0061; 0067; 0073; 0079; 0085; 0091; 0096. . Retrieved 2017/08/28.