1-[5-(1,2-Dihydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol

Base Information

• Chemical Name: 1-[5-(1,2-Dihydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
• CAS No.: 3969-84-4
• Molecular Formula: C9H18O6
• Molecular Weight: 222.238
• Hs Code.: 29400000
• NSC Number: 121512
• DSSTox Substance ID: DTXSID80960299
• Mol file: 3969-84-4.mol

Synonyms:1-[5-(1,2-dihydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol;NSC121512;CBDivE_002438;SCHEMBL6676888;DTXSID80960299;3,4-O-(1-Methylethylidene)hexitol;AKOS025117130;NSC-121512;FT-0614408

Chemical Property of 1-[5-(1,2-Dihydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol

Chemical Property:

• Appearance/Colour: White crystalline powder
• Vapor Pressure: 1.53E-09mmHg at 25°C
• Melting Point: 85-88 °C(lit.)
• Refractive Index: 29 ° (C=3, H2O)
• Boiling Point: 438.8 °C at 760 mmHg
• Flash Point: 219.2 °C
• PSA: 99.38000
• Density: 1.304 g/cm³
• LogP: -1.78710
• Storage Temp.: Store at 0°C
• XLogP3: -2.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 222.11033829
• Heavy Atom Count: 15
• Complexity: 187

Purity/Quality:

99% ^*data from raw suppliers

3,4-O-Isopropylidene-D-mannitol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 22-24/25-36-26

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1(OC(C(O1)C(CO)O)C(CO)O)C

Technology Process of 1-[5-(1,2-Dihydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol

There total 11 articles about 1-[5-(1,2-Dihydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol 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%

1,6-di-O-benzoyl-3,4-di-O-isopropylidene-D-mannitol (51432-64-5) → 3,4-di-O-isopropylidene-D-mannitol (3969-84-4)

Guidance literature:

With methanol; sodium methylate; at 20 ℃; for 5h;

DOI:10.1016/j.tetasy.2007.09.021

Reference yield: 84.0%

mannitol triacetonide (3969-59-3) → 3,4-di-O-isopropylidene-D-mannitol (3969-84-4)

Guidance literature:

With acetic acid; at 40 ℃; for 2h;

DOI:10.3987/com-07-s(w)45

Reference yield: 80.0%

(+)-1,2,3,4,5,6-tris-O-isopropylidene-D-mannitol (3969-59-3,4239-88-7,81704-51-0) → 3,4-di-O-isopropylidene-D-mannitol (3969-84-4)

Guidance literature:

With acetic acid;

DOI:10.1016/S0040-4020(01)91522-4

upstream raw materials:

acetic acid

mannitol triacetonide

(+)-1,2,3,4,5,6-tris-O-isopropylidene-D-mannitol

mannitol

Downstream raw materials:

O¹,O⁶-dibenzoyl-O³,O⁴-isopropylidene-mannitol

1,6-Bis-methansulfonyl-D-mannit

O²,O⁵-diacetyl-O³,O⁴-isopropylidene-O¹,O⁶-bis-(toluene-4-sulfonyl)-D-mannitol

(4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dimethanol

Refernces

• 1、 Chen, Na,Xie, Juan. "Synthesis of N-oxyamide-linked neoglycolipids". . p. 10716 - 10721. Retrieved 2015/02/19.
• 2、 Bhaskar, Pallooru Muni,Mathiselvam, Manoharan,Loganathan, Duraikkannu. "Zeolite catalyzed selective deprotection of di- and tri-O-isopropylidene sugar acetals". . p. 1801 - 1807. Retrieved 2008/12/21.