(2,2-Dimethyl-1,3-dioxolan-4-yl)-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

Base Information

• Chemical Name: (2,2-Dimethyl-1,3-dioxolan-4-yl)-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
• CAS No.: 3969-61-7
• Molecular Formula: C12H22 O6
• Molecular Weight: 262.303
• NSC Number: 93066
• DSSTox Substance ID: DTXSID80293938
• Mol file: 3969-61-7.mol

Synonyms:3969-61-7;(2,2-dimethyl-1,3-dioxolan-4-yl)-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol;NSC93066;(2,2-dimethyl-1,3-dioxolan-4-yl)[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol(non-preferred name);DTXSID80293938;CKMMCZAVXJINCZ-UHFFFAOYSA-N;NSC-93066;AKOS015965199;FT-0635082;Galactitol, 1,2:4,5-di-O-isopropylidene-;A824696

Chemical Property of (2,2-Dimethyl-1,3-dioxolan-4-yl)-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

Chemical Property:

• Vapor Pressure: 6.71E-07mmHg at 25°C
• Melting Point: 50-51°C
• Boiling Point: 367.7°Cat760mmHg
• Flash Point: 176.2°C
• PSA: 77.38000
• Density: 1.159g/cm³
• LogP: 0.01120
• Storage Temp.: -20?C Freezer
• Solubility.: Dichloromethane, Ethyl Acetate
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 262.14163842
• Heavy Atom Count: 18
• Complexity: 303

Purity/Quality:

97% ^*data from raw suppliers

1,2:4,5-Di-O-isopropylidene-D-mannitol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(OCC(O1)C(C2C(OC(O2)(C)C)CO)O)C
• Uses: 1,2:4,5-Di-O-isopropylidene-D-mannitol (cas# 3969-61-7) is a compound useful in organic synthesis.

Technology Process of (2,2-Dimethyl-1,3-dioxolan-4-yl)-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

There total 5 articles about (2,2-Dimethyl-1,3-dioxolan-4-yl)-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol 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:

1,2-O-isopropylidene-D-glucitol (4306-35-8,35775-38-3,73745-54-7,81768-61-8) + acetone (67-64-1) → 1,2:5,6-di-O-isopropylidene-D-glucitol (53735-98-1) + 1,2:4,6-di-O-isopropylidene-D-glucitol (73707-74-1,91327-38-7,92218-94-5,120442-08-2) + 2,3:5,6-di-O-isopropylidene-D-glucitol (3969-61-7,20581-94-6,28910-18-1,71771-89-6,73209-94-6,109008-02-8,120442-06-0,127707-49-7) + 1,2;3,5:4,6-tri-O-isopropylidene-D-glucitol (73707-73-0,81738-92-3,120409-39-4) + 1,2;3,4:5,6-tri-O-isopropylidene-D-glucitol (3969-59-3,4239-88-7,81704-51-0)

Guidance literature:

With zinc(II) chloride; for 1h; Product distribution; various time;

DOI:10.1016/S0008-6215(00)83836-7

Reference yield:

1,4-di-O-acetyl-2,3:5,6-di-O-isopropylidene-D-glucitol (55549-04-7,73745-57-0,91739-76-3) → D-glucitol (50-70-4) + 2,3-O-isopropylidene-D-glucitol (38145-92-5,73745-55-8) + 2,3:5,6-di-O-isopropylidene-D-glucitol (3969-61-7,20581-94-6,28910-18-1,71771-89-6,73209-94-6,109008-02-8,120442-06-0,127707-49-7)

Guidance literature:

With hydrogenchloride; In ethanol; for 3h; Product distribution; Ambient temperature; various time;

DOI:10.1016/S0008-6215(00)83836-7

Reference yield:

mannitol (69-65-8) + 2,2-dimethoxy-propane (77-76-9) → 2,3,5,6-di-isopropyIidene-1,4-dihydroxy-D-mannitol (3969-61-7) + 1,2:3,6:4,5-tri-O-isopropylidene-D-mannitol (91667-55-9) + 1,2-mono-O-isopropylidene-D-mannitol (4306-35-8) + 1,2:5,6-di-O-isopropylidene-D-mannitol (1707-77-3)

Guidance literature:

With tin(ll) chloride; In monoethylene glycol diethyl ether; for 5h; Further byproducts given; Heating;

DOI:10.1016/0008-6215(84)85087-9

upstream raw materials:

1,2:3,6:4,5-tri-O-isopropylidene-D-mannitol

mannitol

2,2-dimethoxy-propane

acetone

Downstream raw materials:

O¹,O⁶-dibenzoyl-O²,O³;O⁴,O⁵-diisopropylidene-galactitol

DL-O¹,O⁴-dibenzoyl-O²,O³;O⁵,O⁶-diisopropylidene-galactitol

DL-O¹,O²;O⁴,O⁵-diisopropylidene-O³,O⁶-bis-(toluene-4-sulfonyl)-galactitol

DL-O²,O³;O⁵,O⁶-diisopropylidene-1-iodo-O⁴-(toluene-4-sulfonyl)-1-deoxy-galactitol