(+-)-Epiboxidine

Base Information

Chemical Name:(+-)-Epiboxidine
CAS No.:188895-96-7
Molecular Formula:C₁₀H₁₄N₂O
Molecular Weight:178.234
Hs Code.:
UNII:XI646L2ARJ
DSSTox Substance ID:DTXSID20172258
Nikkaji Number:J816.882B
Wikipedia:Epiboxidine
Wikidata:Q5382428
Mol file:188895-96-7.mol

Synonyms:epiboxidine;exo-2-(3-methyl-5-isoxazolyl)-7-azbicyclo(2.2.1)heptane

Suppliers and Price of (+-)-Epiboxidine

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Sigma-Aldrich
Epiboxidine hydrochloride
1mg
$ 178.00

American Custom Chemicals Corporation
EPIBOXIDINE HYDROCHLORIDE 95.00%
1MG
$ 728.26

Total 4 raw suppliers

Chemical Property of (+-)-Epiboxidine

Chemical Property:

Vapor Pressure:0.000507mmHg at 25°C
Melting Point:200-205 °C (decomp)
Boiling Point:313.1°Cat760mmHg
PKA:10.14±0.40(Predicted)
Flash Point:143.2°C
PSA：38.06000
Density:1.13g/cm³
LogP:2.72170
Storage Temp.:−20°C
Solubility.:H2O: 22 mg/mL
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:178.110613074
Heavy Atom Count:13
Complexity:209

Purity/Quality:

99% ^*data from raw suppliers

Epiboxidine hydrochloride ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: 22-24/25

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NOC(=C1)C2CC3CCC2N3
Isomeric SMILES:CC1=NOC(=C1)[C@H]2C[C@@H]3CC[C@H]2N3

Technology Process of (+-)-Epiboxidine

There total 18 articles about (+-)-Epiboxidine 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: 62.5%

: exo-7-(tert-butoxycarbonyl)-7-azabicyclo[2.2.1]heptan-1,3-butanedione-3-oxime

: 188895-96-7
(+/-)-epiboxidine

Guidance literature:: With hydrogenchloride; at 90 - 95 ℃; for 3h;
DOI:10.1248/cpb.47.1501

Reference yield: 55.0%

: (+/-)-2exo-(3-methyl-isoxazol-5-yl)-7-(toluene-4-sulfonyl)-7-azabicyclo[2.2.1]heptane

: 188895-96-7
(+/-)-epiboxidine

Guidance literature:: With hydrogen bromide; phenol; for 3h; Heating;
DOI:10.1021/jo701536a

Reference yield:

: 7-benzyl-2-carbethoxy-7-azabicyclo<2.2.1>heptane

: 188895-96-7
(+/-)-epiboxidine

Guidance literature:: Multi-step reaction with 5 steps

1: H₂ / Pd(OH)2 / ethanol / 48 h / 2585.74 Torr

2: Et₃N / CH₂Cl₂ / 18 h / Ambient temperature

3: K₂CO₃ / methanol / 1 h / Heating

4: SOCl₂ / 10 h / 0 °C

5: 1.) n-BuLi, 3.) conc. HCl / 1.) THF, hexane, 0 deg C to room temperature, 30 min, 2.) THF, refluxm 45 min, 3.) 80 deg C, 4 h

With hydrogenchloride; n-butyllithium; thionyl chloride; hydrogen; potassium carbonate; triethylamine; palladium dihydroxide; In methanol; ethanol; dichloromethane;
DOI:10.1021/jo9903757