Tert-butyl Azetidine-1-carboxylate

Base Information

• Chemical Name: Tert-butyl Azetidine-1-carboxylate
• CAS No.: 147621-21-4
• Molecular Formula: C8H15NO2
• Molecular Weight: 157.213
• European Community (EC) Number: 830-571-9
• DSSTox Substance ID: DTXSID101302210
• Nikkaji Number: J1.753.525K
• Mol file: 147621-21-4.mol

Synonyms:Tert-butyl Azetidine-1-carboxylate;147621-21-4;1-Boc-azetidine;1-(tert-Butoxycarbonyl)azetidine;Boc azetidine;n-boc-azetidine;SCHEMBL861278;tert-Butyl 1-azetidinecarboxylate;Tert-butylAzetidine-1-carboxylate;QUERMGFVJPRMJL-UHFFFAOYSA-N;DTXSID101302210;XFA62121;AB8545;MFCD09264397;AKOS006332206;SB50685;DS-11943;azetidine-1-carboxylic acid tert-butyl ester;CS-0079053;FT-0733546;A919569

Chemical Property of Tert-butyl Azetidine-1-carboxylate

Chemical Property:

• Boiling Point: 198.7±9.0 °C(Predicted)
• PKA: -1.28±0.20(Predicted)
• PSA: 29.54000
• Density: 1.053±0.06 g/cm3(Predicted)
• LogP: 1.56510
• Storage Temp.: 2-8°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 157.110278721
• Heavy Atom Count: 11
• Complexity: 156

Purity/Quality:

97% ^*data from raw suppliers

tert-Butylazetidine-1-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCC1

Technology Process of Tert-butyl Azetidine-1-carboxylate

There total 10 articles about Tert-butyl Azetidine-1-carboxylate 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: 96.0%

azetidine (503-29-7) + di-tert-butyl dicarbonate (34619-03-9) → tert-butyl azetidine-1-carboxylate (147621-21-4)

Guidance literature:

With triethylamine; In dichloromethane; Cooling with ice;

DOI:10.1021/ol503441d

Reference yield: 94.0%

azetidine (503-29-7) + di-tert-butyl dicarbonate (24424-99-5) → tert-butyl azetidine-1-carboxylate (147621-21-4)

Guidance literature:

With thiourea; In toluene; at 60 - 70 ℃; for 0.166667h;

DOI:10.1016/j.tetlet.2008.03.138

Reference yield: 86.0%

tert-butyl-3-iodoazetidine-1-carboxylate (254454-54-1) → tert-butyl azetidine-1-carboxylate (147621-21-4)

Guidance literature:

With bismuth(III) oxide; N-ethyl-N,N-diisopropylamine; para-thiocresol; In dichloromethane; Irradiation;

upstream raw materials:

tert-butyl-3-iodoazetidine-1-carboxylate

azetidine

di-tert-butyl dicarbonate

azetidine hydrochloride

Downstream raw materials:

tert-butyl 3-hydroxyazetidine-1-carboxylate

methyl 3-tert-butoxycarbonylaminopropionate

3-[1-(4-difluoromethoxy-benzenesulfonyl)-1H-indol-5-yl]-azetidine-1-carboxylic acid tert-butyl ester