3,5-Di-tert-butylaniline

Base Information

• Chemical Name: 3,5-Di-tert-butylaniline
• CAS No.: 2380-36-1
• Molecular Formula: C14H23N
• Molecular Weight: 205.343
• Hs Code.: 29214990
• European Community (EC) Number: 219-173-0
• DSSTox Substance ID: DTXSID80178493
• Nikkaji Number: J213.242G
• Wikidata: Q83048904
• Mol file: 2380-36-1.mol

Synonyms:3,5-Di-tert-butylaniline;2380-36-1;3,5-ditert-butylaniline;Benzenamine, 3,5-bis(1,1-dimethylethyl)-;3,5-di-t-butylaniline;EINECS 219-173-0;MFCD00134096;3,5-ditert-butylphenylamine;3,5-Bis(tert-butyl)aniline;SCHEMBL112570;MJKNHXCPGXUEDO-UHFFFAOYSA-;DTXSID80178493;(3,5-ditert-butyl-phenyl)-amine;3,5-Di-tert-butylaniline, 98%;AKOS000813757;3,5-bis[(1,1-dimethyl)ethyl]aniline;SB77949;DS-17651;SY009402;CS-0076898;D2515;FT-0699869;VU0549347-1;EN300-226475;A878137;AG-672/25002599;J-015218;F9995-0349;2-Amino-4,7-dihydro-5H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid6-tertbutyl ester3-Ethyl ester

Chemical Property of 3,5-Di-tert-butylaniline

Chemical Property:

• Vapor Pressure: 0.00475mmHg at 25°C
• Melting Point: 54-57 °C(lit.)
• Refractive Index: 1.509
• Boiling Point: 276.6 °C at 760 mmHg
• PKA: 4.79±0.10(Predicted)
• Flash Point: 115.6 °C
• PSA: 26.02000
• Density: 0.912 g/cm³
• LogP: 4.44500
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: soluble in Benzene,Alcohol
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 205.183049738
• Heavy Atom Count: 15
• Complexity: 184

Purity/Quality:

98% ^*data from raw suppliers

3,5-Di-tert-butylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=CC(=C1)N)C(C)(C)C
• Uses: 3,5-Di-tert-butylaniline is a useful reactant for the synthesis of Tetraphenylethylenepyrrolo[3,?2-?b]?pyrrole, a fluorescent dye.

Technology Process of 3,5-Di-tert-butylaniline

There total 10 articles about 3,5-Di-tert-butylaniline 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%

3,5-di-tert-butylacetanilide (37055-54-2) → 3,5-di-tert-butylaniline (2380-36-1)

Guidance literature:

With hydrogenchloride; In ethanol; Heating;

DOI:10.1016/j.bmcl.2005.12.003

Reference yield: 91.0%

3,5-di-tert-butylbenzoic acid (16225-26-6) → 3,5-di-tert-butylaniline (2380-36-1)

Guidance literature:

3,5-di-tert-butylbenzoic acid; With sodium azide; sulfuric acid; In chloroform;

With potassium hydroxide; In methanol; chloroform;

DOI:10.1002/asia.201100244

Reference yield: 87.0%

1-bromo-3,5-di-tert-butylbenzene (22385-77-9) → 3,5-di-tert-butylaniline (2380-36-1)

Guidance literature:

With ammonia; sodium t-butanolate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; In 1,4-dioxane; at 80 ℃; for 4h;

DOI:10.1021/ja074681a

upstream raw materials:

3,5-di-tert-butylbenzoic acid

3,5-di-tert-butylacetanilide

1-bromo-3,5-di-tert-butylbenzene

3, 5-di-tert-butyltoluene

Downstream raw materials:

N-(3,5-Di-tert-butylphenyl)-4-chlorobenzenesulfenamide

N,N-bis(4-chlorophenylthio)-3,5-di-t-butylaniline

3,5-Di-tert-butylphenol

2-Mercapto-3,5-di-^tbutylanilin

Refernces

• 1、 Akai, Shuji,Ikawa, Takashi,Masuda, Shigeaki. "One-Pot Generation of Benzynes from Phenols: Formation of Primary Anilines by the Deoxyamination of Phenols". . . Retrieved 2020/03/23.
• 2、 Roy, Nabarun,Lehn, Jean-Marie. "Dynamic Covalent chemistry: A facile room-temperature, reversible, diels-alder reaction between anthracene derivatives and n-phenyltriazolinedione". supporting information; scheme or table. p. 2419 - 2425. Retrieved 2012/07/03.