4-Nitrophenyl 3,4-O-isopropylidene-a-D-galactopyranoside

Base Information

• Chemical Name: 4-Nitrophenyl 3,4-O-isopropylidene-a-D-galactopyranoside
• CAS No.: 29781-32-6
• Molecular Formula: C15H19NO8
• Molecular Weight: 341.31326
• DSSTox Substance ID: DTXSID80512595
• Wikidata: Q82371921
• Mol file: 29781-32-6.mol

Synonyms:29781-32-6;4-Nitrophenyl 3,4-O-isopropylidene-a-D-galactopyranoside;(3As,4R,6R,7R,7aR)-4-(hydroxymethyl)-2,2-dimethyl-6-(4-nitrophenoxy)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol;p-Nitrophenyl3,4-O-Isopropylidene-alpha-D-galactopyranoside;DTXSID80512595;p-Nitrophenyl 3,4-O-Isopropylidene-|A-D-galactopyranoside;W-202237;4-Nitrophenyl 3,4-O-(1-methylethylidene)-alpha-D-galactopyranoside;(3aS, 4R, 6R, 7R, 7aR)-4-(hydroxymethyl)-2, 2-dimethyl-6-(4-nitrophenoxy)-4, 6, 7, 7a-tetrahydro-3aH-[1, 3]dioxolo[4, 5-c]pyran-7-ol

Chemical Property of 4-Nitrophenyl 3,4-O-isopropylidene-a-D-galactopyranoside

Chemical Property:

• Melting Point: 172-173 °C(Solv: hexane (110-54-3); acetone (67-64-1))
• Boiling Point: 565.4±50.0 °C(Predicted)
• PKA: 12.34±0.70(Predicted)
• PSA: 123.20000
• Density: 1.370±0.06 g/cm3(Predicted)
• LogP: 1.09500
• Solubility.: Ethyl Acetate
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 341.11106656
• Heavy Atom Count: 24
• Complexity: 459

Purity/Quality:

97% ^*data from raw suppliers

4-Nitrophenyl 3,4-O-isopropylidene-a-D-galactopyranoside ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(OC2C(OC(C(C2O1)O)OC3=CC=C(C=C3)[N+](=O)[O-])CO)C
• Isomeric SMILES: CC1(O[C@H]2[C@H](O[C@@H]([C@@H]([C@H]2O1)O)OC3=CC=C(C=C3)[N+](=O)[O-])CO)C
• Uses: p-Nitrophenyl 3,4-O-Isopropylidene-α-D-galactopyranoside (cas# 29781-32-6) is a compound useful in organic synthesis.

Technology Process of 4-Nitrophenyl 3,4-O-isopropylidene-a-D-galactopyranoside

There total 2 articles about 4-Nitrophenyl 3,4-O-isopropylidene-a-D-galactopyranoside 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: 26.0%

acetone (67-64-1) + 4-nitrophenyl α-D-galactoside (7493-95-0) → p-nitrophenyl 3,4-O-isopropylidene-α-D-galactopyranoside (29781-32-6) + p-nitrophenyl 4,6-O-isopropylidene-α-D-galactopyranoside (29781-31-5)

Guidance literature:

With toluene-4-sulfonic acid; for 3h; Ambient temperature;

Reference yield:

→ p-nitrophenyl 3,4-O-isopropylidene-α-D-galactopyranoside (29781-32-6)

Guidance literature:

aus p-Nitrophenyl-α-D-galaktosid, Aceton/CuSO4;

Reference yield: 93.0%

p-nitrophenyl 3,4-O-isopropylidene-α-D-galactopyranoside (29781-32-6) + benzoyl chloride (98-88-4) → p-nitrophenyl 2,6-di-O-benzoyl-3,4-O-isopropylidene-α-D-galactopyranoside

Guidance literature:

In pyridine; Ambient temperature;

upstream raw materials:

acetone

4-nitrophenyl α-D-galactoside

Refernces