3-Chloro-4-isopropylpyridine

Base Information

• Chemical Name: 3-Chloro-4-isopropylpyridine
• CAS No.: 90731-99-0
• Molecular Formula: C₈H₁₀ClN
• Molecular Weight: 155.627
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID90523435
• Mol file: 90731-99-0.mol

Synonyms:3-chloro-4-isopropylpyridine;90731-99-0;3-chloro-4-propan-2-ylpyridine;3-Chloro-4-(propan-2-yl)pyridine;SCHEMBL84373;DTXSID90523435;GS2508;AKOS006328753;SB53214

Chemical Property of 3-Chloro-4-isopropylpyridine

Chemical Property:

• PSA: 12.89000
• LogP: 2.85840
• Storage Temp.: 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 155.0501770
• Heavy Atom Count: 10
• Complexity: 103

Purity/Quality:

95+% ^*data from raw suppliers

3-Chloro-4-isopropylpyridine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=C(C=NC=C1)Cl

Technology Process of 3-Chloro-4-isopropylpyridine

There total 5 articles about 3-Chloro-4-isopropylpyridine 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: 89.0%

3-Chloropyridine (626-60-8) + TurboGrignard (807329-97-1) → 3-chloro-4-i-propylpyridine (90731-99-0)

Guidance literature:

3-Chloropyridine; With boron trifluoride diethyl etherate; In tetrahydrofuran; at 0 ℃; for 0.25h; Inert atmosphere;

TurboGrignard; In tetrahydrofuran; at -50 ℃; for 0.5h; Inert atmosphere;

With chloranil; In tetrahydrofuran; at 20 ℃; for 2h; regioselective reaction; Inert atmosphere;

DOI:10.1021/ja401146v

Reference yield: 72.0%

3-Chloropyridine (626-60-8) + TurboGrignard (807329-97-1) + ethylmagnesium chloride lithium chloride → 3-chloro-4-i-propylpyridine (90731-99-0) + 3-chloro-4-ethylpyridine (79698-48-9)

Guidance literature:

3-Chloropyridine; With boron trifluoride diethyl etherate; In tetrahydrofuran; at 0 ℃; for 0.25h; Inert atmosphere;

TurboGrignard; ethylmagnesium chloride lithium chloride; In tetrahydrofuran; at -50 ℃; for 0.5h; Inert atmosphere;

With chloranil; In tetrahydrofuran; at 20 ℃; regioselective reaction; Inert atmosphere;

DOI:10.1021/ja401146v

Reference yield: 66.0%

3-Chloropyridine (626-60-8) + TurboGrignard (807329-97-1) + 3-pyridinecarboxylic acid ethyl ester (614-18-6) → 4-(1-methylethyl)pyridine-3-carboxylic acid ethyl ester (1428419-47-9) + 3-chloro-4-i-propylpyridine (90731-99-0)

Guidance literature:

3-Chloropyridine; 3-pyridinecarboxylic acid ethyl ester; With boron trifluoride diethyl etherate; In tetrahydrofuran; at 0 ℃; for 0.25h; Inert atmosphere;

TurboGrignard; In tetrahydrofuran; at -50 ℃; for 0.5h; Inert atmosphere;

With chloranil; In tetrahydrofuran; at 20 ℃; regioselective reaction; Inert atmosphere;

DOI:10.1021/ja401146v

upstream raw materials:

3-Chloropyridine

TurboGrignard

3-pyridinecarboxylic acid ethyl ester

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