1,4,5,6,7,8-Hexahydro-3h-[1,2]oxazolo[4,3-c]azepin-3-one

Base Information

Chemical Name:1,4,5,6,7,8-Hexahydro-3h-[1,2]oxazolo[4,3-c]azepin-3-one
CAS No.:98977-43-6
Molecular Formula:C₇H₁₀N₂O₂
Molecular Weight:154.169
Hs Code.:
DSSTox Substance ID:DTXSID30912960
Wikidata:Q82883447
ChEMBL ID:CHEMBL305673
Mol file:98977-43-6.mol

Synonyms:5,6,7,8-tetrahydro-4H-isoxazolo(4,3-c)azepin-3-ol;iso-THAO

Suppliers and Price of 1,4,5,6,7,8-Hexahydro-3h-[1,2]oxazolo[4,3-c]azepin-3-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1,4,5,6,7,8-Hexahydro-3h-[1,2]oxazolo[4,3-c]azepin-3-one

Chemical Property:

Vapor Pressure:0.00317mmHg at 25°C
Boiling Point:283.4°Cat760mmHg
Flash Point:125.2°C
PSA：58.03000
Density:1.29g/cm³
LogP:0.33250
XLogP3:0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:0
Exact Mass:154.074227566
Heavy Atom Count:11
Complexity:223

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CC2=C(CNC1)C(=O)ON2

Technology Process of 1,4,5,6,7,8-Hexahydro-3h-[1,2]oxazolo[4,3-c]azepin-3-one

There total 5 articles about 1,4,5,6,7,8-Hexahydro-3h-[1,2]oxazolo[4,3-c]azepin-3-one 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: 80.0%

: 98977-39-0
tert-butyl 1,3,5,6,7,8-hexahydro-3-oxo-4H-isoxazolo<4,3-c>azepine-5-carboxylate

: 98977-43-6
5,6,7,8-tetrahydro-4H-isoxazolo<4,3-c>azepin-3-ol zwitterion

Guidance literature:: With hydrogenchloride; In ethyl acetate; at 25 ℃; for 4h;
DOI:10.1021/jm00152a010

Reference yield: 33.0%

: 98977-42-5
tert-butyl 3,3a,5,6,7,8-hexahydro-3-oxo-4H-isoxazolo<4,3-c>azepine-5-carboxylate

: 98977-43-6
5,6,7,8-tetrahydro-4H-isoxazolo<4,3-c>azepin-3-ol zwitterion

Guidance literature:: With hydrogenchloride; In ethyl acetate; at 25 ℃; for 4h;
DOI:10.1021/jm00152a010

Reference yield:

: 61995-16-2
1-Benzyl-3,3-dihydroxypiperidine hydrobromide

: 98977-43-6
5,6,7,8-tetrahydro-4H-isoxazolo<4,3-c>azepin-3-ol zwitterion

Guidance literature:: Multi-step reaction with 4 steps

1: H₂ / 10percent Pd/C / ethanol; H₂O / 2205.2 Torr

2: triethylamine / tetrahydrofuran / 2 h / 0 °C

3: 1.) boron trifluoride etherate, 2.) hydroxyammonium chloride, NaOH / 1.) ether, from -70 deg C to -60 deg C, 30 min, 2) EtOH, water, 0 deg C, 90 min

4: 80 percent / HCl / ethyl acetate / 4 h / 25 °C

With hydrogenchloride; sodium hydroxide; boron trifluoride diethyl etherate; hydroxylamine hydrochloride; hydrogen; triethylamine; palladium on activated charcoal; In tetrahydrofuran; ethanol; water; ethyl acetate;
DOI:10.1021/jm00152a010