1-N-Boc-3-hydroxyazetidine

Base Information

• Chemical Name: 1-N-Boc-3-hydroxyazetidine
• CAS No.: 141699-55-0
• Molecular Formula: C8H15NO3
• Molecular Weight: 173.212
• Hs Code.: 29339900
• European Community (EC) Number: 628-534-5
• DSSTox Substance ID: DTXSID20373546
• Nikkaji Number: J1.320.992H
• Wikidata: Q72449531
• ChEMBL ID: CHEMBL4522379
• Mol file: 141699-55-0.mol

Synonyms:1,1-Dimethylethyl3-hydroxyazetidine-1-carboxylate;1-(tert-Butoxycarbonyl)-3-azetidinol;1-(tert-Butoxycarbonyl)-3-hydroxyazetidine;1-Boc-3-hydroxyazetidine;3-Hydroxyazetidine-1-carboxylic acid tert-butylester;N-(tert-Butoxycarbonyl)azetidin-3-ol;N-Boc-3-hydroxyazetidine;tert-Butyl 3-hydroxyazetidine-1-carboxylate;

Chemical Property of 1-N-Boc-3-hydroxyazetidine

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 0.00277mmHg at 25°C
• Melting Point: 42-44 °C
• Refractive Index: 1.511
• Boiling Point: 253.7 °C at 760 mmHg
• PKA: 14.16±0.20(Predicted)
• Flash Point: 107.2 °C
• PSA: 49.77000
• Density: 1.184 g/cm³
• LogP: 0.53590
• Storage Temp.: 2-8°C
• Solubility.: soluble in Methanol
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 173.10519334
• Heavy Atom Count: 12
• Complexity: 179

Purity/Quality:

99% ^*data from raw suppliers

tert-Butyl3-Hydroxyazetidine-1-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-41-22
• Safety Statements: 26-36/37/39

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CC(C1)O

Technology Process of 1-N-Boc-3-hydroxyazetidine

There total 15 articles about 1-N-Boc-3-hydroxyazetidine 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: 100.0%

1-(diphenylmethyl)-3-hydroxyazetidine (18621-17-5) + 2,2-dimethylpropanoic anhydride (1538-75-6) → tert-butyl 3-hydroxyazetidine-1-carboxylate (141699-55-0)

Guidance literature:

With hydrogen; 20% Pd(OH)2 on carbon; In ethyl acetate; for 24h; under 760.051 Torr;

Reference yield: 99.0%

di-tert-butyl dicarbonate (24424-99-5) + azetion-3-ol hydrochloride (18621-18-6) → tert-butyl 3-hydroxyazetidine-1-carboxylate (141699-55-0)

Guidance literature:

With potassium carbonate; In tetrahydrofuran; water; for 4h;

Reference yield: 99.0%

tert-butyl 3-oxoazetidine-1-carboxylate (398489-26-4) → tert-butyl 3-hydroxyazetidine-1-carboxylate (141699-55-0)

Guidance literature:

With sodium tetrahydroborate; ethanol; for 2h;

upstream raw materials:

azetidine-3-ol

di-tert-butyl dicarbonate

tert-butyl azetidine-1-carboxylate

1-(diphenylmethyl)-3-hydroxyazetidine

Downstream raw materials:

tert-butyl 3-(pyridin-3-yloxy)azetidine-1-carboxylate

azetidine-3-ol

tert-butyl 3-(2-(benzyloxy)ethoxy)azetidine-1-carboxylate

tert-butyl 3-[2-{[(2Z)-5-tert-butyl-3-[(2R)-tetrahydrofuran-2-ylmethyl]-1,3-oxazol-2(3H)-ylidene]carbamoyl}-4-(trifluoromethyl)phenoxy]azetidine-1-carboxylate

Refernces

• 1、 -. "PROCESSES OF PREPARING A JAK1 INHIBITOR". . . Retrieved 2021/12/17.
• 2、 -. "RET Inhibitor. Pharmaceutical composition and use thereof". Paragraph 0408-0411. . Retrieved 2021/10/27.