CID 10033264

Base Information

Chemical Name:CID 10033264
CAS No.:162792-27-0
Molecular Formula:C₄₁H₇₉O₁₂P
Molecular Weight:795.045
Hs Code.:
Nikkaji Number:J898.493J
Mol file:162792-27-0.mol

Synonyms:162792-27-0;[(2R)-2-Hexadecanoyloxy-3-[hydroxy-[(1R,2R,3S,4R,6R)-2,3,4,6-tetrahydroxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate

Suppliers and Price of CID 10033264

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 2 raw suppliers

Chemical Property of CID 10033264

Chemical Property:

Boiling Point:830.4±75.0 °C(Predicted)
PKA:1.43±0.50(Predicted)
Density:1.12±0.1 g/cm3(Predicted)
Storage Temp.:2-8°C
XLogP3:11.2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:38
Exact Mass:794.53091495
Heavy Atom Count:54
Complexity:968

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(CC(C(C1O)O)O)O)OC(=O)CCCCCCCCCCCCCCC
Isomeric SMILES:CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H](C[C@H]([C@@H]([C@H]1O)O)O)O)OC(=O)CCCCCCCCCCCCCCC

Technology Process of CID 10033264

There total 12 articles about CID 10033264 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: 94.0%

: 162792-26-9
Hexadecanoic acid (R)-2-[benzyloxy-((1R,2R,3S,4R,6R)-2,3,4,6-tetrakis-benzyloxy-cyclohexyloxy)-phosphoryloxy]-1-hexadecanoyloxymethyl-ethyl ester

: 162792-27-0
1D-3-deoxyphosphatidylinositol

Guidance literature:: With hydrogen; palladium dihydroxide; In tert-butyl alcohol; for 24h; under 3620.04 Torr; Ambient temperature;
DOI:10.1016/S0040-4020(97)10003-5

Reference yield:

: 162792-19-0
(3aR,4R,5S,6R,7aR)-4,5,6-Tris-benzyloxy-2,2-dimethyl-hexahydro-benzo[1,3]dioxole

: 162792-27-0
1D-3-deoxyphosphatidylinositol

Guidance literature:: Multi-step reaction with 8 steps

1: 97 percent / conc. HCl / methanol / 48 h / Ambient temperature

2: 1.) Bu₂SnO / 1.) MeOH, reflux, 2 h, 2.) DMF, toluene, 0 deg C, 1 h

3: 73 percent / NaH, Bu₄NI / dimethylformamide / Ambient temperature

4: 77 percent / conc. HCl / methanol / 2 h / Heating

5: 100 percent / diisopropylammonium tetrazolide / CH₂Cl₂ / 24 h / Ambient temperature

6: 60 percent / tetrazole / CH₂Cl₂; acetonitrile / 20 h / Ambient temperature

7: 90 percent / tert-BuOOH / CH₂Cl₂ / 1.) 0 deg C, 90 min, 2.) room temperature, 1 h

8: 94 percent / H₂ / Pd(OH)2 / 2-methyl-propan-2-ol / 24 h / 3620.04 Torr / Ambient temperature

With 1H-tetrazole; hydrogenchloride; tert.-butylhydroperoxide; N,N-diisopropylamine tetrazolide; hydrogen; tetra-(n-butyl)ammonium iodide; sodium hydride; di(n-butyl)tin oxide; palladium dihydroxide; In methanol; dichloromethane; N,N-dimethyl-formamide; acetonitrile; tert-butyl alcohol;
DOI:10.1016/S0040-4020(97)10003-5

Reference yield:

: 162792-21-4
(1R,2R,3R,4S,5R)-3,4,5-Tris-benzyloxy-2-methoxymethoxy-cyclohexanol

: 162792-27-0
1D-3-deoxyphosphatidylinositol

Guidance literature:: Multi-step reaction with 6 steps

1: 73 percent / NaH, Bu₄NI / dimethylformamide / Ambient temperature

2: 77 percent / conc. HCl / methanol / 2 h / Heating

3: 100 percent / diisopropylammonium tetrazolide / CH₂Cl₂ / 24 h / Ambient temperature

4: 60 percent / tetrazole / CH₂Cl₂; acetonitrile / 20 h / Ambient temperature

5: 90 percent / tert-BuOOH / CH₂Cl₂ / 1.) 0 deg C, 90 min, 2.) room temperature, 1 h

6: 94 percent / H₂ / Pd(OH)2 / 2-methyl-propan-2-ol / 24 h / 3620.04 Torr / Ambient temperature

With 1H-tetrazole; hydrogenchloride; tert.-butylhydroperoxide; N,N-diisopropylamine tetrazolide; hydrogen; tetra-(n-butyl)ammonium iodide; sodium hydride; palladium dihydroxide; In methanol; dichloromethane; N,N-dimethyl-formamide; acetonitrile; tert-butyl alcohol;
DOI:10.1016/S0040-4020(97)10003-5