N-tert-Butylbutylamine

Base Information

• Chemical Name: N-tert-Butylbutylamine
• CAS No.: 16486-74-1
• Molecular Formula: C8H19 N
• Molecular Weight: 129.246
• Hs Code.: 2921199090
• European Community (EC) Number: 240-543-2
• DSSTox Substance ID: DTXSID30167812
• Nikkaji Number: J318.211H
• Wikidata: Q83037291
• Mol file: 16486-74-1.mol

Synonyms:N-tert-Butylbutylamine;N-Butyl-tert-butylamine;16486-74-1;N-tert-butylbutan-1-amine;EINECS 240-543-2;1-Butanamine, N-(1,1-dimethylethyl)-;t-butylaminobutane;tert-Butylbutylamine;tert-Butyl-n-butyl-amine;BUTYL(TERT-BUTYL)AMINE;N-(tert-Butyl)-1-butanamine;SCHEMBL269108;DTXSID30167812;AKOS000137085;FT-0725905;F1911-1668

Chemical Property of N-tert-Butylbutylamine

Chemical Property:

• Vapor Pressure: 4.93mmHg at 25°C
• Boiling Point: 145.1°Cat760mmHg
• PKA: 10.84±0.38(Predicted)
• Flash Point: 25.3°C
• PSA: 12.03000
• Density: 0.762g/cm³
• LogP: 2.56550
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 129.151749610
• Heavy Atom Count: 9
• Complexity: 61.5

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCNC(C)(C)C

Technology Process of N-tert-Butylbutylamine

There total 11 articles about N-tert-Butylbutylamine 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: 97.0%

1-tert-butyl-4-methyl-1-aza-1,3-butadiene (6943-47-1) → n-butyl-tert-butylamine (16486-74-1)

Guidance literature:

With Quinuclidine; 2,4,6-trimethylphenylbis(pentafluorophenyl)borane; hydrogen; In benzene-d6; at 20 ℃; for 42h; under 3040.2 Torr; Inert atmosphere;

DOI:10.1002/chem.201102438

Reference yield: 33.0%

1-tert-butyl-4-methyl-1-aza-1,3-butadiene (6943-47-1) → tert-butyl-butyliden-amine (6852-59-1) + n-butyl-tert-butylamine (16486-74-1)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; 2,4,6-trimethylphenylbis(pentafluorophenyl)borane; hydrogen; In benzene-d6; at 20 ℃; for 42h; under 3040.2 Torr; Inert atmosphere;

DOI:10.1002/chem.201102438

Reference yield:

tert-butylamine (75-64-9) + butan-1-ol (71-36-3) → n-butyl-tert-butylamine (16486-74-1)

Guidance literature:

With hydrogen; copper; at 210 ℃; under 760.051 Torr; Gas phase;

upstream raw materials:

N-n-Butyl-N-t-butylformamid

1-bromo-butane

tert-butylamine

n-Butyl chloride

Downstream raw materials:

N-Butyl-N-tert-butyl-3-chloro-benzamide

N-Butyl-N-tert-butyl-3,4-dichloro-benzamide

n-Butyl-tert.-butyl-nitrosamin

Refernces

• 1、 Yang, Yingfeng,Ying, Hanze,Jia, Yunchao,Chen, Yingying,Cheng, Jianjun. "Stabilization of the hindered urea bond through de-tert-butylation". supporting information. p. 3812 - 3815. Retrieved 2021/04/21.
• 2、 -. "In a vapor phase production of asymmetrical sec. tert metylamine". Paragraph 0066; 0067; 0083; 0084. . Retrieved 2017/03/17.