3-TERT-BUTYLTHIO-2-CARBOXYPYRIDINE

Base Information

• Chemical Name: 3-TERT-BUTYLTHIO-2-CARBOXYPYRIDINE
• CAS No.: 178811-41-1
• Molecular Formula: C10H13NO2S
• Molecular Weight: 211.28
• Mol file: 178811-41-1.mol

Synonyms:3-TERT-BUTYLTHIOPICOLINIC ACID;

Chemical Property of 3-TERT-BUTYLTHIO-2-CARBOXYPYRIDINE

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 132-134°C
• Boiling Point: 346.073°C at 760 mmHg
• Flash Point: 163.099°C
• PSA: 75.49000
• Density: 1.215g/cm³
• LogP: 2.67040
• Storage Temp.: -20°C Freezer
• Solubility.: Dichloromethane, Ether, Ethyl Acetate, Methanol

Purity/Quality:

90% ^*data from raw suppliers

3-tert-Butylthio-2-carboxypyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-TERT-BUTYLTHIO-2-CARBOXYPYRIDINE

There total 2 articles about 3-TERT-BUTYLTHIO-2-CARBOXYPYRIDINE 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: 87.0%

3-(tert-butylthio)picolinonitrile (178811-40-0) → 3-tert-butylsulfanyl-pyridine-2-carboxylic acid (178811-41-1)

Guidance literature:

3-(tert-butylthio)picolinonitrile; With water; sodium hydroxide; In ethanol; for 1h; Inert atmosphere; Reflux;

pH=2; Product distribution / selectivity; Acidic aqueous solution;

Reference yield:

3-bromopyridine-2-carbonitrile (55758-02-6) → 3-tert-butylsulfanyl-pyridine-2-carboxylic acid (178811-41-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 5.4 g / NaH / tetrahydrofuran / 1.5 h / Heating

2: 85 percent / NaOH / ethanol; H₂O / 1 h / Heating

With sodium hydroxide; sodium hydride; In tetrahydrofuran; ethanol; water;

DOI:10.1016/0040-4039(96)00661-2

Reference yield: 91.0%

3-tert-butylsulfanyl-pyridine-2-carboxylic acid (178811-41-1) → 3-Mercapto-pyridine-2-carboxylic acid; hydrochloride (320386-54-7)

Guidance literature:

With hydrogenchloride; for 11h; Heating;

DOI:10.1016/0040-4039(96)00661-2

upstream raw materials:

3-(tert-butylthio)picolinonitrile

3-bromopyridine-2-carbonitrile

Downstream raw materials:

3-Mercapto-pyridine-2-carboxylic acid; hydrochloride

3-mercaptopyridine-2-carboxylic acid

Refernces

• 1、 -. "CARBACEPHEM β-LACTAM ANTIBIOTICS". Page/Page column 90-91. . Retrieved 2009/05/30.