Di-tert-butylamine

Base Information

• Chemical Name: Di-tert-butylamine
• CAS No.: 21981-37-3
• Molecular Formula: C8H19 N
• Molecular Weight: 129.246
• Hs Code.: 2921199090
• DSSTox Substance ID: DTXSID80176398
• Nikkaji Number: J64.656C
• Wikidata: Q83046734
• Mol file: 21981-37-3.mol

Synonyms:Di-tert-butylamine;21981-37-3;Di-t-Butylamine;N-tert-butyl-2-methylpropan-2-amine;t-BUTANE, IMINODI-;Bis(tert-butyl)amine;2-Propanamine, N-(1,1-dimethylethyl)-2-methyl-;BRN 1732746;di-terbutylamine;di-t-butyl amine;Di-tert-butyl-amine;SCHEMBL49720;DTXSID80176398;Di-tert-butylamine (6CI,7CI,8CI);AKOS025296065;N-(tert-butyl)-2-methyl-2-propanamine;LS-45921;3-04-00-00324 (Beilstein Handbook Reference)

Chemical Property of Di-tert-butylamine

Chemical Property:

• Vapor Pressure: 10.2mmHg at 25°C
• Boiling Point: 129.4°C at 760 mmHg
• PKA: 10.76±0.48(Predicted)
• Flash Point: 12.8°C
• PSA: 12.03000
• Density: 0.762g/cm³
• LogP: 2.56390
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 129.151749610
• Heavy Atom Count: 9
• Complexity: 69.7

Purity/Quality:

99% ^*data from raw suppliers

Di-tert-butylamine 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)NC(C)(C)C

Technology Process of Di-tert-butylamine

There total 4 articles about Di-tert-butylamine 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:

t-butyl bromide (507-19-7) → diisobutylamine (21981-37-3) + tert-butylamine (75-64-9)

Guidance literature:

With 5-methyl-1,3,4-thiadiazol-2-amine; potassium carbonate; In ethanol; water; at 25 ℃; for 1h; Overall yield = 75 %;

DOI:10.1007/s00706-017-2042-5

Reference yield:

tert-butylmagnesium chloride (677-22-5) → diisobutylamine (21981-37-3) + tert-butylamine (75-64-9)

Guidance literature:

With diethyl ether; nitrosylchloride; at -40 - -30 ℃; anschliessende Reduktion mit Zinn und Salzsaeure;

Reference yield:

ethyl nitrite (109-95-5) + tert-butylmagnesium chloride (677-22-5) → diisobutylamine (21981-37-3) + tert-butylamine (75-64-9)

Guidance literature:

With diethyl ether; at -40 - -30 ℃; anschliessende Reduktion mit Zinn und Salzsaeure;

upstream raw materials:

ethyl nitrite

tert-butylmagnesium chloride

methanol

1,3-Di-tert-butyl-2-(di-tert-butylamino)-4,4-dimethyl-1,3,2,4-diazaphosphasiletidin

Downstream raw materials:

N-Nitroso-di-tert.-butylamin

di-tertbutylaniline

1-(2-Allyl-4-methyl-phenoxy)-3-(di-tert-butyl-amino)-propan-2-ol

1-(2-Allyl-5-methyl-phenoxy)-3-(di-tert-butyl-amino)-propan-2-ol

Refernces

• 1、 Scherer, Otto J.,Puettmann, Michael,Krueger, Carl,Wolmershaeuser, Gotthelf. "Element-Organic Amine/Imine Compounds, XXIII. Rotamers of Aminophosphanes and Aminophosphoranes". . p. 2076 - 2124. Retrieved 2007/10/02.