tert-Butylamine

Base Information

• Chemical Name: tert-Butylamine
• CAS No.: 75-64-9
• Deprecated CAS: 94896-77-2
• Molecular Formula: C4H11N
• Molecular Weight: 73.138
• Hs Code.: 2921.19 Oral rat LD50: 44 mg/kg
• European Community (EC) Number: 200-888-1
• NSC Number: 9571
• UN Number: 2735,2733
• UNII: 91Z53KF68U
• DSSTox Substance ID: DTXSID5024681
• Nikkaji Number: J1.944E
• Wikipedia: Tert-Butylamine
• Wikidata: Q288188
• NCI Thesaurus Code: C171681
• Metabolomics Workbench ID: 56568
• ChEMBL ID: CHEMBL13782
• Mol file: 75-64-9.mol

Synonyms:tert-butylamine;tert-butylamine hydrobromide;tert-butylamine hydrochloride;tert-butylamine hydroiodide;tert-butylamine monolithium salt;tert-butylamine perchlorate;tert-butylamine sulfate (2:1);tert-butylamine thiocyanate;tert-butylamine, conjugate acid

Chemical Property of tert-Butylamine

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 5.7 psi ( 20 °C)
• Melting Point: -67 °C
• Refractive Index: n20/D 1.377(lit.)
• Boiling Point: 44.399 °C at 760 mmHg
• PKA: 10.68(at 25℃)
• Flash Point: -9 °C
• PSA: 26.02000
• Density: 0.744 g/cm³
• LogP: 1.44390
• Storage Temp.: Flammables area
• Sensitive.: Air Sensitive
• Solubility.: water: miscible1000g/L at 25°C
• Water Solubility.: MISCIBLE
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 73.089149355
• Heavy Atom Count: 5
• Complexity: 25.1
• Transport DOT Label: Corrosive

Purity/Quality:

99% ^*data from raw suppliers

tert-Butylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,C,T
• Hazard Codes: F,C,T
• Statements: 11-20/22-35-25-20-52/53
• Safety Statements: 16-26-36/37/39-45-28A-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Aliphatic
• Canonical SMILES: CC(C)(C)N
• Recent NIPH Clinical Trials: A Study of LY3295668 Erbumine in Participants With Relapsed/Refractory Neuroblastoma
• Uses: tert-butylamine is used as a precursor for the preparation of rubber accelerators, pharmaceuticals and dyes. It is employed in synthesis of N-tert-butyl-acetamide, isoquinolines, pyridines, decumbenine, sulfontes, sulfonamides and methyl beta-ketophosphonate. It is also used in the study the effect of amines in influencing atmospheric sulfuric acid - water nucleation, hydroamination of terminal alkynes and measuring the surface acidity of solid catalyst. It acts as an indicator molecule in the study of NMR -based pH determination method.

Technology Process of tert-Butylamine

There total 139 articles about 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: 97.0%

1,3,5,7-Tetra-tert-butyl-2,4,6,8-tetrachloro-[1,3,5,7,2,4,6,8]tetrazatetraborocane (4262-38-8) → boric acid (11113-50-1,14635-83-7) + tert-butylamine (75-64-9)

Guidance literature:

With water; In further solvent(s); byproducts: HCl; solvent cyclohexanol, in tube 20.5 h at 160°C;

DOI:10.1039/jr9650006421

Reference yield: 96.0%

2-Methyl-2-nitropropane (594-70-7) → tert-butylamine (75-64-9)

Guidance literature:

With zinc borohydride pyridine complex; In tetrahydrofuran; for 0.67h; Heating;

DOI:10.1002/jccs.200300040

Reference yield: 96.0%

1,1-dimethylethylurea (1118-12-3) → tert-butylamine (75-64-9)

Guidance literature:

With calcium hydroxide; at 240 - 270 ℃; for 1.5h; other hydroxides as reagent;;

upstream raw materials:

2,2-dimethylaziridine

O-Methylhydroxylamin

tert-butylmagnesium chloride

tert-butyl isothiocyanate

Downstream raw materials:

2-[(1,1-dimethylethyl)amino]-ethanol

N-tert-butyldiethanolamine

furan-2-carboxylic acid tert-butylamide

N-tert-butylacetamide

Refernces

• 1、 Mizuno, Noritaka,Tabata, Masahiro,Uematsu, Takeshi,Iwamoto, Masakuzu. "Factors Controlling Amination of 2-Methylpropene over Proton-exchanged Zeolite Catalysts". . p. 3513 - 3514. Retrieved 1993.
• 2、 Zhang, Wanshuo,Gao, Shangyao,Xie, Sujuan,Liu, Hui,Zhu, Xiangxue,Shang, Yongchen,Liu, Shenglin,Xu, Longya,Zhang, Ye. "A shaped binderless ZSM-11 zeolite catalyst for direct amination of isobutene to tert-butylamine". . p. 168 - 175. Retrieved 2017.
• 3、 Karpov,Belyaev,Orlova,Davidovich,Garabadzhiu. "Reaction of tert-butylimine of phenylpropiolic aldehyde with substituted imidazole-2-thiones". . p. 766 - 767. Retrieved 2015.
• 4、 Zhao, Dongpu,Chu, Weifeng,Wang, Yanan,Zhu, Xiangxue,Li, Xiujie,Xie, Sujuan,An, Jie,Xin, Wenjie,Liu, Shenglin,Xu, Longya. "Organic promoter-driven fast synthesis of zeolite beta and its acceleration mechanism". . p. 24614 - 24624. Retrieved 2018.
• 5、 -. "PROCESS FOR PREPARATION OF TERT-BUTYLAMINE AND PROPIONIC ACID SALTS FROM N-TERTIARY BUTYL ACRYLAMIDE". Page/Page column 16-17. . Retrieved 2021/11/13.
• 6、 Xu, Fangzhou,Wang, Yanyan,Xun, Xiwei,Huang, Yun,Jin, Zhichao,Song, Baoan,Wu, Jian. "Diverse Oxidative C(sp2)-N Bond Cleavages of Aromatic Fused Imidazoles for Synthesis of α-Ketoamides and N-(pyridin-2-yl)arylamides". . p. 8411 - 8422. Retrieved 2019/05/17.