4-(tert-Butyl)benzylamine Hydrochloride

Base Information

• Chemical Name: 4-(tert-Butyl)benzylamine Hydrochloride
• CAS No.: 59528-30-2
• Molecular Formula: C11H17N.ClH
• Molecular Weight: 199.724
• European Community (EC) Number: 827-150-7
• ChEMBL ID: CHEMBL2041544
• DSSTox Substance ID: DTXSID00586253
• Mol file: 59528-30-2.mol

Synonyms:59528-30-2;4-(tert-Butyl)benzylamine Hydrochloride;(4-tert-butylphenyl)methanamine hydrochloride;4-(tert-Butyl)benzylamine HCl;(4-tert-butylphenyl)methanamine;hydrochloride;MFCD08144075;Benzenemethanamine, 4-(1,1-dimethylethyl)-, hydrochloride;4-(tert-Butyl)benzylamineHydrochloride;CHEMBL2041544;DTXSID00586253;4-(t-Butyl)benzylamine hydrochloride;AC1093;AKOS000276968;CS-11789;SY030278;DB-102303;EN300-72482;A914317;1-(4-tert-Butylphenyl)methanamine--hydrogen chloride (1/1)

Chemical Property of 4-(tert-Butyl)benzylamine Hydrochloride

Chemical Property:

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 199.1127773
• Heavy Atom Count: 13
• Complexity: 126

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)CN.Cl

Technology Process of 4-(tert-Butyl)benzylamine Hydrochloride

There total 7 articles about 4-(tert-Butyl)benzylamine 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: 98.0%

4-tert-butyl benzonitrile (4210-32-6) → 4-(1,1-dimethylethyl)benzenemethanamine hydrochloride (59528-30-2)

Guidance literature:

4-tert-butyl benzonitrile; With potassium tert-butylate; In tetrahydrofuran; at 70 ℃; for 12h; Glovebox; Inert atmosphere; Sealed tube;

With sodium hydroxide; In tetrahydrofuran; water; at 20 ℃; Glovebox; Inert atmosphere; Sealed tube;

With hydrogenchloride; In methanol; diethyl ether; at 20 ℃; for 0.333333h; Inert atmosphere;

DOI:10.1021/acs.inorgchem.9b01377

Reference yield: 96.0%

N-<4-(1,1-Dimethylethyl)phenylmethyl>-phthalimid (149879-57-2) → 4-(1,1-dimethylethyl)benzenemethanamine hydrochloride (59528-30-2)

Guidance literature:

With hydrazine hydrate; In ethanol; at 40 ℃; for 12h;

DOI:10.1002/ardp.19933260607

Reference yield: 95.0%

4-tert-butylbenzamide (56108-12-4) → 4-(1,1-dimethylethyl)benzenemethanamine hydrochloride (59528-30-2)

Guidance literature:

4-tert-butylbenzamide; With phenylsilane; C₂₈H₁₈ClMnN₂O₂; potassium tert-butylate; In tetrahydrofuran; at 50 ℃; for 12h; Inert atmosphere; Glovebox;

With sodium hydroxide; In tetrahydrofuran; for 3h; Inert atmosphere; Glovebox;

With hydrogenchloride; In methanol; diethyl ether; Glovebox; Inert atmosphere;

DOI:10.1039/c9cc05856g

upstream raw materials:

4-tert-butyl benzonitrile

N-<4-(1,1-Dimethylethyl)phenylmethyl>-phthalimid

1-(bromomethyl)-4-(1,1-dimethylethyl)benzene

4-tert-butylbenzamide

Refernces

• 1、 Fan, Guang-Gao,Jiang, Bo-Wen,Sang, Wei,Cheng, Hua,Zhang, Rui,Yu, Bao-Yi,Yuan, Ye,Chen, Cheng,Verpoort, Francis. "Metal-Free Synthesis of Heteroaryl Amines or Their Hydrochlorides via an External-Base-Free and Solvent-Free C-N Coupling Protocol". . p. 14627 - 14639. Retrieved 2021/11/01.
• 2、 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.