Chemical Products 3-Hydroxyazetidine hydrochloride Safety Information

CAS No:18621-18-6
Formula:C3H8ClNO
Synonyms:3-AZETIDINOL HYDROCHLORIDE;3-HYDROXYAZETIDINE HCL;3-HYDROXYAZETIDINE HYDROCHLORIDE;BUTTPARK 75\04-67;AZETIDIN-3-OL HYDROCHLORIDE;AZETIDIN-3-OL, HYDROCHLORIDE SALT;AZETAN-2-ONE;3-hydroxyazatidine HCl
China Export:From 2018.11 to 2019.11, total export volume of 3-Hydroxyazetidine hydrochloride from China was 112,377,052KG while total export value was $2,146,929,254. The biggest proportion of exporting volume in the last 12 months was 9.88% in 2019.03.

Chemical Products 3-Hydroxyazetidine hydrochloride Description
white crystal

Chemical Products 3-Hydroxyazetidine hydrochloride Basic Attributes
CAS No：18621-18-6

Molecular Formula ：C3H8ClNO

Molecular Mass ：109.55

Exact Mass ：109.029442

PSA ：32.3 A^2

EINECS ：1592732-453-0

InChIKeys ：UQUPQEUNHVVNKW-UHFFFAOYSA-N

H-bond Acceptor ：2

H-bond Donor ：3

SP3 ：1.00

RBN ：0

Chemical Products 3-Hydroxyazetidine hydrochloride Characteristics
Melting Point ：90-92°C

Bolling Point ：170.7°C at 760 mmHg

Flash Point ：120.4ºC

Solubility ：Soluble in water, DMSO, methanol.

Storage Condition ：Room temperature.

Chemical Products 3-Hydroxyazetidine hydrochloride Safety Information
Hazard Class ：IRRITANT

HS Code ：29339900

UN No. ：NONH for all modes of transport

WGK_Germany ：3

Risk Code ：36/37/38-41-37/38-22

Safety Instructions ：26-36/37/39

Dangerous Mark ：C,Xi,Xn

P Code ：P261-P280-P305 + P351 + P338

Hazard Statements ：H302-H315-H318-H335

Hazard Note ：Harmful/Corrosive

Chemical Products 3-Hydroxyazetidine hydrochloride Product Usage
A useful intermediate in the synthesis of polypeptides

Chemical Products 3-Hydroxyazetidine hydrochloride Production Methods
A solution of l-(diphenylmethyl)-3-hydroxyazetidine hydrochloride (11.8 g) in absolute ethanol (700 mL) was hydrogenated at room temperature over Pd(OH)2/C in a Parr shaker at 4 atm. After 12 hr the catalyst was filtered off and the filtrate evaporated to dryness to give3-hydroxyazetidine hydrochloride (4.20 g, 94percent). A reaction mixture of N-benzhydrylazetidin-3-ol HCl salt (2.76 g, 10.0 mmol) with palladium hydroxide, 20percent Pd (dry base) on C (400 mg) in 50 mL of MeOH was hydrogenated at 55 psi for 48 h. The reaction mixture was filtered through Celite pad and washed well with MeOH. The filtrate was concentrated under vacuum at room temperature water bath. The residue was treated with ether (3x30 ml) and the solvent is decanted. The solid was air dried to give 571 mg of HCl salt product (2) as white solid (52percent yield). 1H NMR (400 MHz, DMSO-D6) δ ppm 3.33 (s, 1H) 3.63-3.80 (m, 2H) 3.93-4.09 (m, 2H) 4.40-4.58 (m, 1H) 6.18 (d, J=6.32 Hz, 1H).A reaction mixture of N-benzhydrylazetidin-3-ol HCI salt (2.76 g, 10.0 mmol) with palladium hydroxide, 20percent Pd (dry base) on C (400 mg) in 50 mL of MeOH was hydrogenated at 55 psi for 48 h. The reaction mixture was filtered through Celite pad and washed well with MeOH. The filtrate was concentrated under vacuum at room temperature water bath. The residue was treated with ether (3x30ml) and the solvent is decanted. The solid was air dried to give 571 mg of HCI salt product (2-2) as white solid (52percent yield). To a soln of 1-benzhydrylazetan-3-ol (1.0 g, 4.16 mmol) in methanol (20 mL) were added 10percent Pd/C (1.0 g) and 4N HCl in 1, 4-dioxane (2 mL). The mixture was flushed with Ar, and then stirred on Parr apparatus at 40 psi H2 for 6 h at 60°. The mixture was cooled to room temperature and filtered through celite. The filtrate was concentrated and the resulting solid was washed with diethyl ether to give the desired product 0.31 g (68percent). 1H NMR (MeOD-d4): δ 4.17 (m, 1H), 4.22 (m, 2H), 3.91 (m, 2H)

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