1,3:2,5:4,6-Tri-O-methylene-D-mannitol

Base Information

• Chemical Name: 1,3:2,5:4,6-Tri-O-methylene-D-mannitol
• CAS No.: 5434-31-1
• Molecular Formula: C9H14 O6
• Molecular Weight: 218.207
• Hs Code.: 2932999099
• European Community (EC) Number: 226-600-4
• Mol file: 5434-31-1.mol

Synonyms:1,3:2,5:4,6-Tri-O-methylene-D-mannitol;5434-31-1;(1S,2S,7R,11R)-3,5,8,10,13,15-hexaoxatricyclo[9.4.0.02,7]pentadecane;(4aR,7aR,11aS,11bS)-hexahydrobis[1,3]dioxino[5,4-d:4',5'-f][1,3]dioxepine

Chemical Property of 1,3:2,5:4,6-Tri-O-methylene-D-mannitol

Chemical Property:

• Vapor Pressure: 0.00055mmHg at 25°C
• Melting Point: 232-233 °C
• Refractive Index: 1.4390 (estimate)
• Boiling Point: 321.7°Cat760mmHg
• Flash Point: 135.5°C
• PSA: 55.38000
• Density: 1.251g/cm³
• LogP: -0.52630
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 218.07903816
• Heavy Atom Count: 15
• Complexity: 201

Purity/Quality:

99% ^*data from raw suppliers

1,3:2,5:4,6-Tri-O-methylene-D-mannitol ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2C(C3C(COCO3)OCO2)OCO1
• Isomeric SMILES: C1[C@@H]2[C@@H]([C@@H]3[C@@H](COCO3)OCO2)OCO1

Technology Process of 1,3:2,5:4,6-Tri-O-methylene-D-mannitol

There total 3 articles about 1,3:2,5:4,6-Tri-O-methylene-D-mannitol 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: 93.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + mannitol (69-65-8) → 1,3-2,5-4,6-tri-O-methylene-D-mannitol (5434-31-1)

Guidance literature:

With hydrogenchloride; In water; at 50 ℃; for 120h;

DOI:10.1016/0009-3084(93)90036-3

Reference yield:

mannitol (69-65-8) → 1,3-2,5-4,6-tri-O-methylene-D-mannitol (5434-31-1)

Guidance literature:

With hydrogenchloride; formaldehyd;

DOI:10.1021/ja01135a025

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + mannitol (69-65-8) → 1,3;4,6-di-O-methylene-D-mannitol (10300-97-7) + 1,3-2,5-4,6-tri-O-methylene-D-mannitol (5434-31-1)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

formaldehyd

mannitol

Downstream raw materials:

1,6-diacetyl-3,4-di-(acetoxymethyl)-2,5-O-methylene-D-mannitol

mannitol

1,3;4,6-di-O-methylene-D-mannitol