Isoxazolidine hydrochloride

Base Information

• Chemical Name: Isoxazolidine hydrochloride
• CAS No.: 39657-45-9
• Molecular Formula: C3H7NO.ClH
• Molecular Weight: 109.556
• Hs Code.: 2934999090
• European Community (EC) Number: 800-538-3
• DSSTox Substance ID: DTXSID30486712
• Mol file: 39657-45-9.mol

Synonyms:ISOXAZOLIDINE HYDROCHLORIDE;39657-45-9;1,2-oxazolidine;hydrochloride;isoxazolidine hcl;1,2-oxazolidine hydrochloride;MFCD11100465;isoxazolidine hydrochoride;isooxazolidine hydrochloride;SCHEMBL693656;ISOXAZOLIDINEHYDROCHLORIDE;DTXSID30486712;HPIVVOQIZYNVJE-UHFFFAOYSA-N;AKOS015848331;SB37014;AM803837;AS-39612;SY045612;CS-0179756;FT-0677691;I0966;EN300-131366;A873597;5-(2-Fluorophenyl)-1-(3-pyridinylsulfonyl)-1H-pyrrole-3-carbonitrile

Chemical Property of Isoxazolidine hydrochloride

Chemical Property:

• Melting Point: 125.0 to 129.0 °C
• PSA: 21.26000
• LogP: 1.04210
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: Soluble in water
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 109.0294416
• Heavy Atom Count: 6
• Complexity: 30.1

Purity/Quality:

97% ^*data from raw suppliers

Isoxazolidine Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNOC1.Cl
• Uses: Isoxazolidine Hydrochloride is used to form isoxazolidides by high yield acylation.

Technology Process of Isoxazolidine hydrochloride

There total 7 articles about Isoxazolidine 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: 77.0%

1,3-Dichloropropane (142-28-9) → isoxazolidine hydrochloride (39657-45-9)

Guidance literature:

1,3-Dichloropropane; With N-hydroxyphthalimide; 1,8-diazabicyclo[5.4.0]undec-7-ene; In N,N-dimethyl-formamide; at 23 - 50 ℃;

With hydrogenchloride; In water; N,N-dimethyl-formamide;

With hydrazine hydrate; In ethanol; at 23 ℃; for 4h;

Reference yield: 74.83%

methyl-2-(isoxazolidine-2-carbonyl)benzoate → isoxazolidine hydrochloride (39657-45-9)

Guidance literature:

With hydrogenchloride; In water; at 100 ℃; for 16h; Inert atmosphere;

Reference yield: 70.0%

N-(ethoxycarbonyl)isoxazolidine (54020-55-2) → isoxazolidine hydrochloride (39657-45-9)

Guidance literature:

With hydrogenchloride; for 2h; Heating;

upstream raw materials:

N-(ethoxycarbonyl)isoxazolidine

N-<(3-chloro)-propanoxy>phtalimide

1,3-dibromo-propane

1,3-Dichloropropane

Downstream raw materials:

N-(benzyloxycarbonyl)-L-serine isoxazolidide

N-[-2-[4-(3,5-dichloro-pyridin-2-yloxy)phenoxy]propionyl]isoxazolidine