3-Methylazetidin-3-ol

Base Information

• Chemical Name: 3-Methylazetidin-3-ol
• CAS No.: 256931-54-1
• Molecular Formula: C4H9NO
• Molecular Weight: 87.1216
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40468266
• Wikidata: Q82295421
• Mol file: 256931-54-1.mol

Synonyms:3-methylazetidin-3-ol;256931-54-1;3-methyl-azetidin-3-ol;3-Hydroxy-3-methylazetidine;3-methyl-3-azetidinol;MFCD10565787;3-Azetidinol, 3-methyl-;DTXSID40468266;LDLAEUFQUOXALI-UHFFFAOYSA-N;AKOS005146208;SB36225;SY111204;CS-0139518;FT-0750351;EN300-94452

Chemical Property of 3-Methylazetidin-3-ol

Chemical Property:

• Vapor Pressure: 0.99mmHg at 25°C
• Boiling Point: 157.4±15.0 °C(Predicted)
• PKA: 14.57±0.20(Predicted)
• PSA: 32.26000
• Density: 1.057±0.06 g/cm3(Predicted)
• LogP: -0.33060
• Storage Temp.: Keep in dark place,Sealed in dry,Store in freezer, under -20°C
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 87.068413911
• Heavy Atom Count: 6
• Complexity: 58.6

Purity/Quality:

97% ^*data from raw suppliers

3-Hydroxy-3-Methylazetidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CNC1)O
• Uses: 3-Methylazetidin-3-ol can be used as CDK2 inhibitors to treat cancer, as well as, IRAK4 inhibitors for diseases related to IRAK4.

Technology Process of 3-Methylazetidin-3-ol

There total 3 articles about 3-Methylazetidin-3-ol 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-benzhydryl-3-methylazetidin-3-ol (40320-63-6) → 3-hydroxy-3-methyl azetidine (256931-54-1)

Guidance literature:

With ammonium formate; palladium 10% on activated carbon; In ethanol; at 20 ℃; for 23h; Heating / reflux;

Reference yield:

tert-butyl 3-hydroxy-3-methylazetidine-1-carboxylate (1104083-23-9) → 3-hydroxy-3-methyl azetidine (256931-54-1)

Guidance literature:

tert-butyl 3-hydroxy-3-methylazetidine-1-carboxylate; With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 3h;

With ammonia; In methanol;

Reference yield:

1-benzyl-3-methyl-3-(trimethylsilyloxy)azetidine (919357-57-6) → 3-hydroxy-3-methyl azetidine (256931-54-1)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In methanol; for 18h;

upstream raw materials:

1-benzyl-3-methyl-3-(trimethylsilyloxy)azetidine

1-benzhydryl-3-methylazetidin-3-ol

tert-butyl 3-hydroxy-3-methylazetidine-1-carboxylate