ascopyrone P

Base Information

Chemical Name:ascopyrone P
CAS No.:68732-99-0
Molecular Formula:C6H8O4
Molecular Weight:144.127
Hs Code.:
DSSTox Substance ID:DTXSID70432778
Nikkaji Number:J1.324.197J
Wikidata:Q27121888
Metabolomics Workbench ID:57315
Mol file:68732-99-0.mol

Synonyms:ascopyrone P

Suppliers and Price of ascopyrone P

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 3 raw suppliers

Chemical Property of ascopyrone P

Chemical Property:

Melting Point:92-94 °C
Boiling Point:287.0±40.0 °C(Predicted)
PKA:9.18±0.40(Predicted)
PSA：66.76000
Density:1.429±0.06 g/cm3(Predicted)
LogP:-0.26390
XLogP3:-0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:144.04225873
Heavy Atom Count:10
Complexity:173

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(OC=C(C1=O)O)CO
Isomeric SMILES:C1[C@H](OC=C(C1=O)O)CO

Technology Process of ascopyrone P

There total 6 articles about ascopyrone P 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%

: 68733-00-6
2,6-di-O-acetyl-1,5-anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose

: 68732-99-0
1,5-anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose

Guidance literature:: With hydrogenchloride; In methanol; at 20 ℃; for 20h;
DOI:10.1016/j.carres.2006.03.037

Reference yield:

: 75414-43-6
1,5-D-anhydrofructose

: 68732-99-0
1,5-anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose

Guidance literature:: Multi-step reaction with 3 steps

1.1: H₂O / 2 h / 25 °C

1.2: 78 percent / pyridine / 2 h / 20 °C

2.1: 59 percent / Et₃N / CH₂Cl₂ / 16.5 h / 0 - 20 °C

3.1: 77 percent / HCl / methanol / 20 h / 20 °C

With hydrogenchloride; triethylamine; In methanol; dichloromethane; water;
DOI:10.1016/j.carres.2006.03.037

Reference yield:

: 211800-60-1
3,6-di-O-acetyl-1,5-anhydro-4-deoxy-D-glycero-hex-3-enopyranos-2-ulose

: 68732-99-0
1,5-anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose

Guidance literature:: 3,6-di-O-acetyl-1,5-anhydro-4-deoxy-D-glycero-hex-3-enopyranos-2-ulose; With hydrogenchloride; for 24h;

With pyridine; 4 A molecular sieve; at 120 ℃; for 1h;
DOI:10.1081/CAR-120016855