Shihunine

Base Information

Chemical Name:Shihunine
CAS No.:4031-12-3
Molecular Formula:C₁₂H₁₃NO₂
Molecular Weight:203.241
Hs Code.:
DSSTox Substance ID:DTXSID10960742
Nikkaji Number:J13.508I
Wikidata:Q27108285
Metabolomics Workbench ID:68306
Mol file:4031-12-3.mol

Synonyms:shihunine

Suppliers and Price of Shihunine

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

Total 11 raw suppliers

Chemical Property of Shihunine

Chemical Property:

Boiling Point:359.5°Cat760mmHg
Flash Point:151.4°C
PSA：29.54000
Density:1.26g/cm³
LogP:1.67330
XLogP3:1.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:203.094628657
Heavy Atom Count:15
Complexity:291

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1CCCC12C3=CC=CC=C3C(=O)O2
Description A constituent of 'Chukanso' which is a form of the Chinese drug 'Shih-Hu',Inubushi and his colleagues have isolated this phthalide-pyrrolidine alkaloid which crystallizes as needles from Et20-hexane. The picrate has m.p. 163-4°C.

Technology Process of Shihunine

There total 13 articles about Shihunine 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: 50.0%

: 129882-40-2
3-hydroxy-3,3'(N-methyl-2-oxo-pyrrolidinyl)-phthalide

: 4031-12-3,34413-11-1
Shihunin

Guidance literature:: With hydrogenchloride; for 15h; Heating;
DOI:10.1016/S0040-4020(01)82029-9

Reference yield:

: 85-44-9
phthalic anhydride

: 4031-12-3,34413-11-1
Shihunin

Guidance literature:: Multi-step reaction with 5 steps

1: 78 percent / CHCl₃ / Ambient temperature

2: 67 percent / sodium hydroxide / methanol; H₂O / 8 h / Ambient temperature

3: 68 percent / methanol; H₂O / 2 h / 150 °C / sealed tube

4: 50 percent / methanol; H₂O / 12 h / 180 °C / sealed tube

5: 48percent HBr / Heating

With sodium hydroxide; hydrogen bromide; In methanol; chloroform; water;
DOI:10.1016/S0040-4020(01)82029-9

Reference yield:

: 65652-16-6
E-3-(2-oxotetrahydrofuran-3-ylidine)phthalide

: 4031-12-3,34413-11-1
Shihunin

Guidance literature:: Multi-step reaction with 4 steps

1: 67 percent / sodium hydroxide / methanol; H₂O / 8 h / Ambient temperature

2: 68 percent / methanol; H₂O / 2 h / 150 °C / sealed tube

3: 50 percent / methanol; H₂O / 12 h / 180 °C / sealed tube

4: 48percent HBr / Heating

With sodium hydroxide; hydrogen bromide; In methanol; water;
DOI:10.1016/S0040-4020(01)82029-9