Benzonitrile, 2-[[2-(hydroxymethyl)-1H-pyrrol-1-yl]methyl]-

Base Information

Chemical Name:Benzonitrile, 2-[[2-(hydroxymethyl)-1H-pyrrol-1-yl]methyl]-
CAS No.:130569-97-0
Molecular Formula:C₁₃H₁₂N₂O
Molecular Weight:212.251
Hs Code.:
DSSTox Substance ID:DTXSID901187383

Synonyms:DTXSID901187383;AKOS015743662;Benzonitrile, 2-[[2-(hydroxymethyl)-1H-pyrrol-1-yl]methyl]-;130569-97-0

Suppliers and Price of Benzonitrile, 2-[[2-(hydroxymethyl)-1H-pyrrol-1-yl]methyl]-

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Benzonitrile, 2-[[2-(hydroxymethyl)-1H-pyrrol-1-yl]methyl]-

Chemical Property:

XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:212.094963011
Heavy Atom Count:16
Complexity:270

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C(=C1)CN2C=CC=C2CO)C#N

Technology Process of Benzonitrile, 2-[[2-(hydroxymethyl)-1H-pyrrol-1-yl]methyl]-

There total 3 articles about Benzonitrile, 2-[[2-(hydroxymethyl)-1H-pyrrol-1-yl]methyl]- 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:

: 130569-96-9
1-(2-cyanobenzyl)pyrrole-2-carboxyaldehyde

: 130569-97-0
1-(2-cyanobenzyl)-2-hydroxymethylpyrrole

Guidance literature:: With sodium tetrahydroborate; In tetrahydrofuran; water; for 2h; Heating;
DOI:10.1002/jhet.5570270557

Reference yield:

: 1003-29-8,254729-95-8
2-pyrrole aldehyde

: 130569-97-0
1-(2-cyanobenzyl)-2-hydroxymethylpyrrole

Guidance literature:: Multi-step reaction with 2 steps

1: 83 percent / (CH₃)3COK, 18-crown-6 / tetrahydrofuran / 4 h / Ambient temperature

2: 2.12 g / NaBH₄ / tetrahydrofuran; H₂O / 2 h / Heating

With sodium tetrahydroborate; 18-crown-6 ether; potassium tert-butylate; In tetrahydrofuran; water;
DOI:10.1002/jhet.5570270557

Reference yield:

: 22115-41-9
2-(bromomethyl)benzonitrile

: 130569-97-0
1-(2-cyanobenzyl)-2-hydroxymethylpyrrole

Guidance literature:: Multi-step reaction with 2 steps

1: 83 percent / (CH₃)3COK, 18-crown-6 / tetrahydrofuran / 4 h / Ambient temperature

2: 2.12 g / NaBH₄ / tetrahydrofuran; H₂O / 2 h / Heating

With sodium tetrahydroborate; 18-crown-6 ether; potassium tert-butylate; In tetrahydrofuran; water;
DOI:10.1002/jhet.5570270557