tert-Octylamine

Base Information

• Chemical Name: tert-Octylamine
• CAS No.: 107-45-9
• Deprecated CAS: 38724-98-0,77658-17-4,89961-29-5,77658-17-4,89961-29-5
• Molecular Formula: C8H19N
• Molecular Weight: 129.246
• Hs Code.: 29211990
• European Community (EC) Number: 203-491-1
• NSC Number: 33852
• UNII: S84LIL883B
• DSSTox Substance ID: DTXSID0021886
• Nikkaji Number: J42.743H
• Wikidata: Q27289038
• ChEMBL ID: CHEMBL2078935
• Mol file: 107-45-9.mol

Synonyms:tert-Octylamine;107-45-9;1,1,3,3-Tetramethylbutylamine;2,4,4-trimethylpentan-2-amine;2-PENTANAMINE, 2,4,4-TRIMETHYL-;t-octylamine;2,4,4-Trimethyl-2-pentylamine;Butylamine, 1,1,3,3-tetramethyl-;1,1,3,3-Tetramethylbutanamine;2-Amino-2,4,4-trimethylpentane;Butylamine, bis(1,3-dimethyl)-;NSC 33852;EINECS 203-491-1;BRN 1732753;UNII-S84LIL883B;AI3-52247;S84LIL883B;DTXSID0021886;NSC-33852;EC 203-491-1;4-04-00-00769 (Beilstein Handbook Reference);tert.octylamine;t-octyl amine;tert-octyl amine;tert.-octylamine;NSC33852;TERT-OCTANAMINE;PRIMENE TOA;tert-Octylamine, 95%;Butylamine,3-dimethyl)-;SCHEMBL26368;1,3,3-Tetramethylbutylamine;2,4-Trimethyl-2-pentylamine;1,1,3,3-tetramethylbutylamin;2-Pentanamine,4,4-trimethyl-;DTXCID501886;Butylamine,1,3,3-tetramethyl-;CHEMBL2078935;2,4,4-Trimethyl-2-pentanamine;1,1,3,3-tetramethyl-butylamine;1,1,3,3-Tetramethyl butylamine;(1,1,3,3-tetramethylbutyl)amine;2,4,4-Trimethyl-2-pentanamine #;STR09519;(1,1,3,3-tetramethylbutyl)-amine;Tox21_200077;MFCD00008053;STK400200;AKOS000120431;WLN: ZX1&1&1X1&1&1;NCGC00248513-01;NCGC00257631-01;CAS-107-45-9;LS-47377;tert-Octylamine, technical, >=95% (GC);T0143;EN300-21249;W-108746;Butylamine, 1,1,3,3-tetramethyl- (6CI,7CI,8CI);Q27289038;Z104494824

Chemical Property of tert-Octylamine

Chemical Property:

• Appearance/Colour: Clear liquid
• Vapor Pressure: 10 mm Hg ( 25 °C)
• Melting Point: -67 °C
• Refractive Index: n20/D 1.424(lit.)
• Boiling Point: 143.4 °C at 760 mmHg
• PKA: 10.74±0.25(Predicted)
• Flash Point: 32.2 °C
• PSA: 26.02000
• Density: 0.786 g/cm³
• LogP: 2.86020
• Storage Temp.: Flammables area
• Water Solubility.: insoluble
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 129.151749610
• Heavy Atom Count: 9
• Complexity: 87.2

Purity/Quality:

99.9% ^*data from raw suppliers

tert-Octylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 10-22-34
• Safety Statements: 26-36/37/39-45-16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)CC(C)(C)N

Technology Process of tert-Octylamine

There total 12 articles about tert-Octylamine 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: 60.0%

3-Methyl-3-tert-octylamino-1-butyne (263254-99-5) → tert-Octylamine (107-45-9) + tert-Octyl-tert-pentylamine (263255-00-1)

Guidance literature:

With hydrogen; palladium on activated charcoal; In various solvent(s); under 2947.74 Torr;

DOI:10.1515/znb-2000-0118

Reference yield:

2-chloro-2,4,4-trimethylpentane (6111-88-2) → tert-Octylamine (107-45-9) + tert-butylamine (75-64-9)

Guidance literature:

With aluminium trichloride; nitrogen trichloride; In dichloromethane;

DOI:10.1021/jo01256a029

Reference yield:

2,4,4-trimethyl-1-pentene (107-39-1) → tert-Octylamine (107-45-9)

Guidance literature:

Multi-step reaction with 2 steps

1: concentrated H₂SO₄; glacial acetic acid

2: KOH; ethylene glycol

With potassium hydroxide; sulfuric acid; ethylene glycol; acetic acid;

DOI:10.1021/ja01192a022

upstream raw materials:

2,2,4-trimethyl-4-nitro-pentane

2-chloro-2,4,4-trimethylpentane

silver cyanate

N-(2,4,4-trimethylpentan-2-yl)formamide

Downstream raw materials:

ethyl N-1,1,3,3-tetramethylbutylcarbamate

1-phenyl-N-(2,4,4-trimethylpentan-2-yl)methanimine

benzyl-(1,1,3,3-tetramethyl-butyl)-amine

(1,1,3,3-tetramethyl-butyl)-amidophosphoric acid diphenyl ester

Refernces

• 1、 Azuaje, Jhonny,Coelho, Alberto,Maatougui, Abdelaziz El,Blanco, Jose Manuel,Sotelo, Eddy. "Supported p-toluenesulfonic acid as a highly robust and eco-friendly isocyanide scavenger". experimental part. p. 89 - 95. Retrieved 2011/04/15.
• 2、 -. "3-amino-5-methyl-1H-pyrazole-4-carboxylic acids and esters thereof as anticonvulsants, muscle relaxants and anxiolytics". . . Retrieved 2008/06/13.