3-Phenyloxetan-3-amine hydrochloride

Base Information

• Chemical Name: 3-Phenyloxetan-3-amine hydrochloride
• CAS No.: 1211284-11-5
• Molecular Formula: C9H12ClNO
• Molecular Weight: 185.653
• Hs Code.: 2932990090
• European Community (EC) Number: 832-229-4
• DSSTox Substance ID: DTXSID70693226
• Mol file: 1211284-11-5.mol

Synonyms:3-Phenyloxetan-3-amine hydrochloride;1211284-11-5;3-PHENYLOXETAN-3-AMINE HCL;C9H12ClNO;3-phenyloxetan-3-amine;hydrochloride;3-PHENYL-OXETAN-3-YLAMINE HYDROCHLORIDE;MFCD17215843;3-Phenyloxetan-3-amine hydrochloride, (3-Aminooxetan-3-yl)benzene hydrochloride;3-phenyl-3-aminooxetane hydrochloride;3-Phenyl-3-oxetanamine hydrochloride;SCHEMBL9900201;DTXSID70693226;3-phenyloxetan-3-amine hydrochlorid;3-Phenyloxetan-3-aminehydrochloride;AMY32108;AKOS016844554;SB20178;AS-37521;CS-0046823;FT-0745600;EN300-719654;3-Phenyloxetan-3-amine--hydrogen chloride (1/1);J-513056

Chemical Property of 3-Phenyloxetan-3-amine hydrochloride

Chemical Property:

• PSA: 35.25000
• LogP: 2.37310
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 185.0607417
• Heavy Atom Count: 12
• Complexity: 137

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Phenyloxetan-3-amineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CO1)(C2=CC=CC=C2)N.Cl

Technology Process of 3-Phenyloxetan-3-amine hydrochloride

There total 1 articles about 3-Phenyloxetan-3-amine 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: 91.0%

2-methyl-N-(3-phenyloxetan-3-yl)propane-2-sulfinamide (1211283-99-6) → 3-phenyl-3-aminooxetane hydrochloride (1211284-11-5)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; methanol; at 0 ℃; for 0.0166667h; Inert atmosphere;

DOI:10.1021/ol100119e

Reference yield: 89.0%

1-bromo-4-methoxy-benzene (104-92-7) + 3-phenyl-3-aminooxetane hydrochloride (1211284-11-5) → N-(4-methoxyphenyl)-3-phenyloxetan-3-amine

Guidance literature:

With 5-(di-tert-butylphosphino)-1′, 3′, 5′-triphenyl-1′H-[1,4′]bipyrazole; bis[chloro(1,2,3-trihapto-allylbenzene)palladium(II)]; sodium t-butanolate; In water; at 50 ℃; for 16h; Reagent/catalyst; Inert atmosphere;

DOI:10.1039/c8cc09110b

Reference yield: 86.0%

3-phenyl-3-aminooxetane hydrochloride (1211284-11-5) + tert-butyl 3-bromobenzoate (69038-74-0) → t-butyl 3-[(3-phenyloxetan-3-yl)amino]benzoate

Guidance literature:

With bis[chloro(1,2,3-trihapto-allylbenzene)palladium(II)]; sodium t-butanolate; tert-butyl XPhos; In water; at 50 ℃; for 16h; Inert atmosphere;

DOI:10.1039/c8cc09110b

upstream raw materials:

2-methyl-N-(3-phenyloxetan-3-yl)propane-2-sulfinamide

Downstream raw materials:

4-fluoro-2-(4-fluorophenyl)-N-methyl-5-(2-methyl-5-(3-phenyloxetan-3-ylcarbamoyl)phenyl)benzofuran-3-carboxamide

Refernces

• 1、 -. "BENZOFURANE DERIVATIVES FOR THE TREATMENT OF HEPATITITS C". Page/Page column 25. . Retrieved 2012/06/30.