4-(Aminomethyl)benzonitrile hydrochloride

Base Information

• Chemical Name: 4-(Aminomethyl)benzonitrile hydrochloride
• CAS No.: 15996-76-6
• Molecular Formula: C8H8N2^.HCl
• Molecular Weight: 168.626
• Hs Code.: 29269090
• European Community (EC) Number: 677-095-6
• DSSTox Substance ID: DTXSID90433101
• Mol file: 15996-76-6.mol

Synonyms:4-(Aminomethyl)benzonitrile hydrochloride;15996-76-6;4-Cyanobenzylamine HCL;4-Cyanobenzylamine hydrochloride;4-(Aminomethyl)benzonitrile HCl;4-(aminomethyl)benzonitrile;hydrochloride;4-(Aminomethyl)benzonitrile, HCl;Benzonitrile, 4-(aminomethyl)-, monohydrochloride;MFCD01861472;4-(Aminomethyl)benzonitrile hydrochloride, 97%;4-(Aminomethyl)benzonitrileHydrochloride;4-Aminomethyl-benzonitrile hydrochloride;4-Cyanobenzyl amine HCl;4-aminomethylbenzonitrile HCl;SCHEMBL154002;p-cyanobenzylamine hydrochloride;Benzonitrile, 4-(aminomethyl)-, hydrochloride (1:1);DTXSID90433101;QREZLLYPLRPULF-UHFFFAOYSA-N;4-cyano-benzyl amine hydrochloride;p-cyanobenzylamine hydrogen chloride;CK2122;4-aminomethylbenzonitrile hydrochloride;AKOS005258846;AC-4566;alpha-Amino-p-tolunitrile Hydrochloride;CS-W007809;HY-W007809;4-(AMINOMETHYL)-BENZONITRILE HCL;p-(aminomethyl)benzonitrile hydrochloride;BP-13015;SY007868;TS-02287;4-(aminomethyl)-benzonitrile hydrochloride;AM20060522;FT-0649364;EN300-66289;J-009659

Chemical Property of 4-(Aminomethyl)benzonitrile hydrochloride

Chemical Property:

• Appearance/Colour: White solid
• Vapor Pressure: 0.0051mmHg at 25°C
• Melting Point: 274-279 °C(lit.)
• Boiling Point: 275.4 °C at 760 mmHg
• Flash Point: 120.4 °C
• PSA: 49.81000
• LogP: 2.51928
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly), Water (Slightly)
• Water Solubility.: almost transparency
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 168.0454260
• Heavy Atom Count: 11
• Complexity: 137

Purity/Quality:

98% ^*data from raw suppliers

4-CyanobenzylamineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22-36/37/38:
• Hazard Codes: R20/21/22-36/37/38:
• Statements: 20/21/22-36/37/38-22
• Safety Statements: 22-24/25-36/37-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CN)C#N.Cl
• Uses: 4-(Aminomethyl)benzonitrile hydrochloride can be used in the synthesis of fluorescent-labeled bisbenzamidine, which can be a biochemical tool in biomedical studies. It can also be used in the synthesis of 3-(p-benzylamino)-1,2,4,5 tetrazine, used in the modification of alginate hydrogels, employed in cell engineering applications.

Technology Process of 4-(Aminomethyl)benzonitrile hydrochloride

There total 14 articles about 4-(Aminomethyl)benzonitrile hydrochloride 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%

4-aminobenzyl cyanide (10406-25-4) → 4-cyanobenzylamine hydrochloride (15996-76-6)

Guidance literature:

With hydrogenchloride; In ethyl acetate;

Reference yield: 98.0%

tert-butyl ((tert-butoxycarbonyl)(4-cyanobenzyl)amino)-methanoate (172348-74-2) → 4-cyanobenzylamine hydrochloride (15996-76-6)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; for 3h;

Reference yield: 90.0%

4-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]benzonitrile (15996-74-4) → 4-cyanobenzylamine hydrochloride (15996-76-6)

Guidance literature:

With hydrazine hydrate; In ethanol; at 20 - 40 ℃; for 1h;

DOI:10.1002/jhet.5570400206

upstream raw materials:

4-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]benzonitrile

4-cyanobenzyl bromide

4-aminobenzyl cyanide

tert-butyl N-(4-cyanophenyl)carbamate

Downstream raw materials:

N-(4-cyano-benzyl)-3-iodo-benzamide

4-cyanobenzyl 2-(4-cyanophenyl)-benzamide

(S)-tert-butyl 2-((4-cyanobenzyl)carbamoyl)pyrrolidine-1-carboxylate

2-chloro-N-(4-cyanobenzyl)acetamide

Refernces

• 1、 Bhunia, Mrinal,Sahoo, Sumeet Ranjan,Das, Arpan,Ahmed, Jasimuddin,Sreejyothi,Mandal, Swadhin K.. "Transition metal-free catalytic reduction of primary amides using an abnormal NHC based potassium complex: Integrating nucleophilicity with Lewis acidic activation". . p. 1848 - 1854. Retrieved 2020/03/03.
• 2、 Geri, Jacob B.,Szymczak, Nathaniel K.. "A proton-switchable bifunctional ruthenium complex that catalyzes nitrile hydroboration". supporting information. p. 12808 - 12814. Retrieved 2015/10/28.