Azetidine hydrochloride

Base Information

• Chemical Name: Azetidine hydrochloride
• CAS No.: 36520-39-5
• Molecular Formula: C₃H₇N*ClH
• Molecular Weight: 93.5562
• Hs Code.: 29339900
• European Community (EC) Number: 627-415-5
• DSSTox Substance ID: DTXSID40957822
• Mol file: 36520-39-5.mol

Synonyms:Azetidine hydrochloride;36520-39-5;azetidine hcl;azetidine;hydrochloride;Trimethyleneimine hydrochloride;Azetidine, HCl;C3H8ClN;Azetidine (hydrochloride);MFCD00191762;Azetidine, hydrochloride;Azetidinehydrochloride;azetidine-hcl;azetidine HCl salt;azetidine-hydrochloride;azetidine hydrogen chloride;azetidine hydrochloride salt;Azetidine hydrochloride, 97%;DTXSID40957822;HGQULGDOROIPJN-UHFFFAOYSA-N;Azetidine HCl;Azetidine--hydrogen chloride (1/1);AKOS005259327;AC-1060;CS-W011344;GS-3573;HY-W010628;PB33850;BP-12321;A6310;AM20090583;FT-0650368;FT-0660668;EN300-75356;F0001-1044;Z1741968337

Chemical Property of Azetidine hydrochloride

Chemical Property:

• Appearance/Colour: White powder
• Melting Point: >300 °C
• Boiling Point: 103.8oC at 760 mmHg
• Flash Point: 152 °C
• PSA: 12.03000
• LogP: 1.11050
• Storage Temp.: Room temperature.
• Sensitive.: Hygroscopic
• Water Solubility.: Soluble in water (103.8°C at 760 mmHg).
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 93.0345270
• Heavy Atom Count: 5
• Complexity: 17.2

Purity/Quality:

99% ^*data from raw suppliers

Azetidine hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC1.Cl
• Uses: Basic building block for synthesizing azetidines.1,2 Azetidine hydrochloride is a four-membered ring nitrogen-containing heterocycle. Useful building block in the synthesis of polypeptides and other nitrogen containing compounds with potential biological properties. Azetidine hydrochloride is a building block for azetidine synthesis and a pharmaceutical intermediate.

Technology Process of Azetidine hydrochloride

There total 6 articles about Azetidine hydrochloride 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%

O-tert-butyl azetidine-1-carbothioate → azetidine hydrochloride (78797-58-7,78797-59-8,78797-62-3,36520-39-5,65546-09-0)

Guidance literature:

With hydrogenchloride; In diethyl ether; at 20 ℃; for 1h;

DOI:10.1021/ol503441d

Reference yield: 98.0%

1-[Bis-(4-methoxy-phenyl)-methyl]-azetidine → azetidine hydrochloride (78797-58-7,78797-59-8,78797-62-3,36520-39-5,65546-09-0)

Guidance literature:

With hydrogenchloride; for 14h; Heating;

DOI:10.3987/R-1986-09-2467

Reference yield: 85.0%

malononitrile (109-77-3) → azetidine hydrochloride (78797-58-7,78797-59-8,78797-62-3,36520-39-5,65546-09-0)

Guidance literature:

malononitrile; With C₄₆H₁₇₈O₄₁Si₄₂; titanium(IV)isopropoxide; In toluene; at 100 ℃; for 24h; Inert atmosphere;

With hydrogenchloride; water; In toluene; at 20 ℃; for 4h; chemoselective reaction; Inert atmosphere;

DOI:10.1016/j.tet.2013.11.101

upstream raw materials:

N-benzhydryl azetidine

3-azidopropyl diethylboronate

malononitrile

Downstream raw materials:

azetidin-1-yl(phenyl)methanone

2,4,6-tris-(1'-azetidinyl)-1,3,5-triazine

2-(azetidin-1-yl)-7-fluoro-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile