2-(Chloromethyl)indolizine-1-carbonitrile

Base Information

• Chemical Name: 2-(Chloromethyl)indolizine-1-carbonitrile
• CAS No.: 731821-82-2
• Molecular Formula: C10H7 Cl N2
• Molecular Weight: 190.63
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00368556
• Wikidata: Q82155179
• Mol file: 731821-82-2.mol

Synonyms:2-(chloromethyl)indolizine-1-carbonitrile;731821-82-2;SCHEMBL18580948;DTXSID00368556;MFCD04628566;AKOS008967138;FT-0691267;EN300-25795;Z56951949

Chemical Property of 2-(Chloromethyl)indolizine-1-carbonitrile

Chemical Property:

• PSA: 28.20000
• LogP: 2.54978
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 190.0297759
• Heavy Atom Count: 13
• Complexity: 232

Purity/Quality:

95% ^*data from raw suppliers

2-(chloromethyl)indolizine-1-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=CN2C=C1)CCl)C#N

Technology Process of 2-(Chloromethyl)indolizine-1-carbonitrile

There total 1 articles about 2-(Chloromethyl)indolizine-1-carbonitrile 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: 65.0%

pyridine-2-acetonitrile (2739-97-1) + 1,3-Dichloroacetone (534-07-6) → 2-(chloromethyl)indolizine-1-carbonitrile (731821-82-2)

Guidance literature:

With chloro-trimethyl-silane; In N,N-dimethyl-formamide; for 4h; Heating;

DOI:10.1055/s-2005-918510

Reference yield: 86.0%

2-(chloromethyl)indolizine-1-carbonitrile (731821-82-2) + p-Chlorothiophenol (106-54-7) → 2-{[(4-chlorophenyl)thio]methyl}indolizine-1-carbonitrile

Guidance literature:

With triethylamine; In isopropyl alcohol; at 60 - 70 ℃; for 7h; ultrasonic irradiation;

DOI:10.1055/s-2005-918510

Reference yield: 83.0%

2-(chloromethyl)indolizine-1-carbonitrile (731821-82-2) + 3,5-dimethylaminoaniline (108-69-0) → 2-{[(3,5-dimepthylphenyl)amino]methyl}indolizine-1-carbonitrile (880467-00-5)

Guidance literature:

With triethylamine; In isopropyl alcohol; at 60 - 70 ℃; for 7h; ultrasonic irradiation;

DOI:10.1055/s-2005-918510

upstream raw materials:

pyridine-2-acetonitrile

1,3-Dichloroacetone

Downstream raw materials:

2-{[(3,5-dimepthylphenyl)amino]methyl}indolizine-1-carbonitrile

2-{[(4-ethoxyphenyl)amino]methyl}indolizine-1-carbonitrile

2-{[(4-ethylphenyl)amino]methyl}indolizine-1-carbonitrile

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