N-Butyl-alpha-methylbenzylamine

Base Information

• Chemical Name: N-Butyl-alpha-methylbenzylamine
• CAS No.: 5412-64-6
• Molecular Formula: C12H19 N
• Molecular Weight: 177.29
• Hs Code.: 2921499090
• European Community (EC) Number: 226-495-5
• NSC Number: 6273
• DSSTox Substance ID: DTXSID801031557
• Nikkaji Number: J41.841B
• Mol file: 5412-64-6.mol

Synonyms:5412-64-6;N-Butyl-alpha-methylbenzylamine;N-(1-phenylethyl)butan-1-amine;N-butyl-a-methylbenzylamine;N-Butyl-1-phenylethylamine;butyl-(1-phenyl-ethyl)-amine;N-Butyl-.alpha.-methylbenzylamine;NSC 6273;EINECS 226-495-5;butyl(1-phenylethyl)amine;BRN 2088270;BENZYLAMINE, N-BUTYL-alpha-METHYL-;Benzylamine, N-butyl-.alpha.-methyl-;Benzenemethanamine, N-butyl-alpha-methyl-;Benzenemethanamine, N-butyl-.alpha.-methyl-;4-12-00-02427 (Beilstein Handbook Reference);NSC6273;N-Butyl-1-phenylethanamine;WLN: 4MY1&R;SCHEMBL3384080;(+)-N-Butyl-1-phenylethylamine;DTXSID801031557;NSC-6273;AKOS000234970;AKOS017277522;LS-43250;FT-0695135;EN300-32357

Chemical Property of N-Butyl-alpha-methylbenzylamine

Chemical Property:

• Vapor Pressure: 0.0372mmHg at 25°C
• Refractive Index: 1.5201 (estimate)
• Boiling Point: 240.8°Cat760mmHg
• Flash Point: 91.2°C
• PSA: 12.03000
• Density: 0.896g/cm³
• LogP: 3.52820
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 177.151749610
• Heavy Atom Count: 13
• Complexity: 116

Purity/Quality:

99% ^*data from raw suppliers

(S)-4-TERT-BUTYL-ALPHA-METHYLBENZYLAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCNC(C)C1=CC=CC=C1

Technology Process of N-Butyl-alpha-methylbenzylamine

There total 28 articles about N-Butyl-alpha-methylbenzylamine 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: 100.0%

butyl(1-phenylethylidene)amine (142968-05-6) → butyl-(1-phenyl-ethyl)-amine (5412-64-6)

Guidance literature:

With potassium tert-butylate; hydrogen; [RuCl₂(Ph₂PCH₂CH₂NH₂)₂]; In benzene-d6; at 20 ℃; for 36h; under 2280 Torr;

DOI:10.1002/adsc.200404274

Reference yield: 91.0%

N-butylamine (109-73-9,85404-21-3) + acetophenone (98-86-2) → butyl-(1-phenyl-ethyl)-amine (5412-64-6)

Guidance literature:

With formic acid; chloro-(pentamethylcyclopentadienyl)-{5-methoxy-2-{1-[(4-methoxyphenyl)imino-N]ethyl}phenyl-C}-iridium(lll); triethylamine; In methanol; at 80 ℃; for 12h; Inert atmosphere;

DOI:10.1002/anie.201002944

Reference yield: 88.0%

N-(1-phenylethylidene)butylamine (6907-75-1) → butyl-(1-phenyl-ethyl)-amine (5412-64-6)

Guidance literature:

With triethylsilane; [(η5-pentamethylcyclopentadienyl)Ir(2-phenylpyridine(1-))Cl]; sodium tetrakis[(3,5-di-trifluoromethyl)phenyl]borate; In dichloromethane; at 25 ℃; for 2h; Inert atmosphere;

DOI:10.1039/c4cy01233j

upstream raw materials:

N-(1-Phenylethyl)-N-n-butylformamid

N-butylamine

acetophenone

n-butyllithium

Downstream raw materials:

(S)-(-)-N-(1-phenylethyl)butylamine

(R)-(+)-N-butyl-N-(α-phenylethyl)amine

C₁₄H₂₁NO

Refernces

• 1、 Agbossou-Niedercorn, Francine,Corre, Yann,Dongare, Mohan K.,Kemnitz, Erhard,Kokane, Reshma,Michon, Christophe,Umbarkar, Shubhangi B.. "Palladium supported on magnesium hydroxyl fluoride: An effective acid catalyst for the hydrogenation of imines and N-heterocycles". supporting information. p. 19572 - 19583. Retrieved 2021/11/04.
• 2、 Louka, Anastasia,Kidonakis, Marios,Saridakis, Iakovos,Zantioti-Chatzouda, Elisavet-Maria,Stratakis, Manolis. "Diethylsilane as a Powerful Reagent in Au Nanoparticle-Catalyzed Reductive Transformations". . p. 3508 - 3514. Retrieved 2020/06/02.