2-Tert-butylpyrimidin-4-amine

Base Information

• Chemical Name: 2-Tert-butylpyrimidin-4-amine
• CAS No.: 114362-20-8
• Molecular Formula: C8H13N3
• Molecular Weight: 151.20900
• Hs Code.: 2933599090
• European Community (EC) Number: 859-895-9
• DSSTox Substance ID: DTXSID10552585
• Wikidata: Q82432937
• Mol file: 114362-20-8.mol

Synonyms:114362-20-8;2-TERT-BUTYLPYRIMIDIN-4-AMINE;4-Amino-2-(tert-butyl)pyrimidine;2-(tert-Butyl)pyrimidin-4-amine;2-TERT-BUTYL-PYRIMIDIN-4-YLAMINE;4-Pyrimidinamine, 2-(1,1-dimethylethyl)-;MFCD01646228;2-(t-Butyl)pyrimidin-4-amine;SCHEMBL1828405;DTXSID10552585;RRFVDJXZQAAJFH-UHFFFAOYSA-N;AKOS011056098;SB30837;AS-64408;SY148483;CS-0060886;EN300-127026;W17352;3',4'-Dihydro-2'H-spiro[piperidine-1,1'-quinolin]-1-ium bromide

Chemical Property of 2-Tert-butylpyrimidin-4-amine

Chemical Property:

• PSA: 52.53000
• LogP: 1.28640
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 151.110947427
• Heavy Atom Count: 11
• Complexity: 128

Purity/Quality:

98%min ^*data from raw suppliers

4-Amino-2-(tert-butyl)pyrimidine 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=NC=CC(=N1)N
• Uses: 2-Tert-butylpyrimidin-4-amine is used as a reactant in the preparation of pyrimidines via cyclization, ring transformation, aromatization and substituent modification

Technology Process of 2-Tert-butylpyrimidin-4-amine

There total 3 articles about 2-Tert-butylpyrimidin-4-amine 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:

1-ethyl-2-t-butylpyrimidinium tetrafluoroborate → 2-(tert-butyl)pyrimidin-4-amine (114362-20-8)

Guidance literature:

Multi-step reaction with 2 steps

1: KMnO₄ / liquid ammonia / 4 h / -33 °C

2: 1) NaNH₂, 2) KMnO₄ / 1) NH₃ liq., -33 deg C, few hours, 2) NH₃ liq., 0.5 h

With potassium permanganate; sodium amide; In ammonia;

Reference yield:

2-tert-butylpyrimidine (61319-99-1) → 2-(tert-butyl)pyrimidin-4-amine (114362-20-8)

Guidance literature:

With potassium permanganate; sodium amide; Yield given. Multistep reaction; 1) NH₃ liq., -33 deg C, few hours, 2) NH₃ liq., 0.5 h;

Reference yield:

→ 2-(tert-butyl)pyrimidin-4-amine (114362-20-8)

Guidance literature:

upstream raw materials:

2-tert-butylpyrimidine

Refernces

• 1、 Buurman, Dick J.,Plas, Henk C. van der. "On the Chichibabin Amination of Pyrimidine and N-Alkylpyrimidinium Salts Using Liquid Ammonia/Potassium Permanganate". . p. 1377 - 1380. Retrieved 2007/10/02.