Azetidin-3-ylmethanol

Base Information

• Chemical Name: Azetidin-3-ylmethanol
• CAS No.: 95849-02-8
• Molecular Formula: C4H9NO
• Molecular Weight: 87.1216
• Hs Code.: 29339900
• European Community (EC) Number: 815-364-3
• DSSTox Substance ID: DTXSID70539554
• Wikidata: Q72444446
• Mol file: 95849-02-8.mol

Synonyms:azetidin-3-ylmethanol;95849-02-8;3-Azetidinemethanol;3-(Hydroxymethyl)azetidine;(AZETIDIN-3-YL)METHANOL;(Azetidine-3-yl)methanol;MFCD08703352;AZETIDINE-3-YL METHANOL;3-Azetidinylmethanol;azetidin-3-yl-methanol;3-hydroxymethylazetidine;3-HYDROXYMETHYL-AZETIDINE;AMY6173;DTXSID70539554;GNVWVYIAQBJHGV-UHFFFAOYSA-N;VDA84902;AKOS005258962;PB34326;PD166493;PS-11983;SY042256;CS-0045522;EN300-94887;A26699;J-519614

Chemical Property of Azetidin-3-ylmethanol

Chemical Property:

• Vapor Pressure: 1.207mmHg at 25°C
• Refractive Index: 1.459
• Boiling Point: 153.823 °C at 760 mmHg
• PKA: 14.82±0.10(Predicted)
• Flash Point: 86.183 °C
• PSA: 32.26000
• Density: 1.018 g/cm³
• LogP: -0.47310
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 87.068413911
• Heavy Atom Count: 6
• Complexity: 42.8

Purity/Quality:

99% ^*data from raw suppliers

Azetidin-3-ylmethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CN1)CO

Technology Process of Azetidin-3-ylmethanol

There total 4 articles about Azetidin-3-ylmethanol 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%

3-hydroxymethyl-azetidine-1-carboxylic acid tert-butyl ester (142253-56-3) → 3-hydroxymethyl-1-azetidine (95849-02-8)

Guidance literature:

With trifluoroacetic acid; at 20 ℃; for 0.5h;

Reference yield:

1-diphenylmethyl-3-hydroxymethylazetidine (72351-36-1) → 3-hydroxymethyl-1-azetidine (95849-02-8)

Guidance literature:

With hydrogen; In methanol; for 4h; under 3750.38 Torr;

DOI:10.1016/j.bmc.2021.116553

Reference yield:

(1-benzylazetidin-3-yl)methanol (99025-94-2) → 3-hydroxymethyl-1-azetidine (95849-02-8)

Guidance literature:

With hydrogen; palladium dihydroxide; In methanol; for 24h;

DOI:10.1021/jm701265n

upstream raw materials:

3-hydroxymethyl-azetidine-1-carboxylic acid tert-butyl ester

(1-benzylazetidin-3-yl)methanol

1-diphenylmethyl-3-hydroxymethylazetidine

Downstream raw materials:

3-hydroxymethyl-azetidine-1-carboxylic acid tert-butyl ester

1-{[(8S)-2,3-dimethyl-8-(2-methylphenyl)-3,6,7,8-tetrahydrochromeno[7,8-d]imidazol-5-yl]carbonyl}-azetidin-3-ylmethanol

{1-[3-(2-phenylethoxy)propanoyl]azetidin-3-yl}methanol

Refernces

• 1、 Palmer, Andreas M.,Chiesa, Vittoria,Schmid, Anja,Münch, Gabriela,Grobbel, Burkhard,Zimmermann, Peter J.,Brehm, Christof,Buhr, Wilm,Simon, Wolfgang-Alexander,Kromer, Wolfgang,Postius, Stefan,Volz, Jürgen,Hess, Dietmar. "Tetrahydrochromenoimidazoles as potassium-competitive acid blockers (P-CABs): Structure-activity relationship of their antisecretory properties and their affinity toward the hERG channel". supporting information; experimental part. p. 3645 - 3674. Retrieved 2010/07/05.
• 2、 Evans, Gary B.,Furneaux, Richard H.,Greatrex, Ben,Murkin, Andrew S.,Schramm, Vern L.,Tyler, Peter C.. "Azetidine based transition state analogue inhibitors of N-ribosyl hydrolases and phosphorylases". . p. 948 - 956. Retrieved 2008/09/19.