1-tert-Butyl-3-azetidinol

Base Information

• Chemical Name: 1-tert-Butyl-3-azetidinol
• CAS No.: 13156-04-2
• Molecular Formula: C7H15NO
• Molecular Weight: 129.202
• Hs Code.: 2933990090
• European Community (EC) Number: 603-494-1
• NSC Number: 148268
• DSSTox Substance ID: DTXSID90302060
• Nikkaji Number: J100.376C
• Wikidata: Q72502341
• Mol file: 13156-04-2.mol

Synonyms:13156-04-2;1-tert-Butyl-3-azetidinol;1-tert-butylazetidin-3-ol;1-(tert-Butyl)azetidin-3-ol;N-tert-butyl-3-hydroxyazetidine;3-Azetidinol, 1-(1,1-dimethylethyl)-;N-tert-Butyl-3-azetidinol;3-Azetidinol, 1-tert-butyl-;MFCD02323245;NSC148268;1-(1,1-Dimethylethyl)azetidin-3-ol;Enamine_000900;1-tert-butyl-azetidin-3-ol;SCHEMBL482782;1-(tert.butyl)-3-azetidinol;1-(tert.-butyl)-3-azetidinol;3-Azetidinol,1-dimethylethyl)-;DTXSID90302060;HMS1396I20;C(C)(C)(C)N1CC(O)C1;AKOS001031513;AC-5729;AM85556;NSC 148268;NSC-148268;SB11987;1-tert-Butyl-3-azetidinol, AldrichCPR;AS-31096;SY008420;CS-0044513;FT-0602240;EN300-64813;A806283;Z56781951;F3099-7117

Chemical Property of 1-tert-Butyl-3-azetidinol

Chemical Property:

• Vapor Pressure: 0.507mmHg at 25°C
• Melting Point: 45-46 °C
• Refractive Index: 1.505
• Boiling Point: 169.2 °C at 760 mmHg
• PKA: 14.41±0.20(Predicted)
• Flash Point: 31.9 °C
• PSA: 23.47000
• Density: 1.031 g/cm³
• LogP: 0.39930
• Storage Temp.: 2-8°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 129.115364102
• Heavy Atom Count: 9
• Complexity: 100

Purity/Quality:

99.9% ^*data from raw suppliers

1-tert-Butylazetidin-3-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)N1CC(C1)O
• Use Description: 1-tert-Butylazetidin-3-ol, also known as tert-Butylazetidinol, serves multiple purposes across various fields. In the pharmaceutical industry, it is employed as a key intermediate in the synthesis of various drugs, especially those related to anti-viral, anti-cancer, and anti-inflammatory medications. Its unique chemical structure and reactivity make it a valuable building block for creating complex organic compounds. Additionally, it finds applications in the field of agrochemicals, contributing to the development of pesticides and herbicides. Furthermore, in the realm of materials science, it can be used to synthesize specialty polymers and coatings, owing to its ability to impart specific properties to these materials. Overall, 1-tert-Butylazetidin-3-ol plays a crucial role in the advancement of pharmaceuticals, agrochemicals, and specialized materials, making it a versatile compound in the chemical industry.

Technology Process of 1-tert-Butyl-3-azetidinol

There total 8 articles about 1-tert-Butyl-3-azetidinol 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: 85.0%

2-methyl-N-(oxiran-2-ylmethyl)propan-2-amine (13080-65-4) → N-tert-butyl-3-hydroxyazetidine (13156-04-2)

Guidance literature:

With triethylamine; In acetonitrile; for 16h; Heating;

DOI:10.1081/SCC-120026859

Reference yield:

tert-butylamine (75-64-9) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → N-tert-butyl-3-hydroxyazetidine (13156-04-2)

Guidance literature:

tert-butylamine; epichlorohydrin; In isopropyl alcohol; at 25 ℃;

With triethylamine; In acetonitrile; at 100 ℃; for 24h;

Reference yield:

1-tert-Butyl-3-trimethylsilanyloxy-azetidine (111043-41-5) → N-tert-butyl-3-hydroxyazetidine (13156-04-2)

Guidance literature:

With sodium methylate; In methanol; for 2h;

upstream raw materials:

1-tert-Butyl-3-trimethylsilanyloxy-azetidine

1,3-dichloro-2-(6-(3,4,5,6-tetrahydro-2H-pyranoxy))propane

tert-butylamine

2-methyl-N-(oxiran-2-ylmethyl)propan-2-amine

Downstream raw materials:

3-[5-bromo-2-(3-fluoro-benzyloxy)-phenoxy]-1-tert-butyl-azetidine

azetion-3-ol hydrochloride

4-(1-tert-butylazetidin-3-yloxy)-7-(2-chlorophenyl)-8-(4-chlorophenyl)-2-methylpyrazolo[1,5-a][1,3,5]triazine

7-(1-tert-Butylazetidin-3-yloxy)-3-(4-chlorophenyl)-2-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine

Refernces

• 1、 Gaertner,V.R.. "". . p. 5919 - 5922. Retrieved 1968.
• 2、 McGandy et al.. "". . p. 6173. Retrieved 1969.
• 3、 -. "3-nitrile methylene azetidine-1-tert-butyl carbonate preparation method". Page/Page column 7; 15-18. . Retrieved 2020/02/06.
• 4、 -. "(Halo-benzo carbonyl)heterocyclo fused phenyl p38 kinase inhibiting agents". . . Retrieved 2008/06/13.