D-Threitol

Base Information

• Chemical Name: D-Threitol
• CAS No.: 2418-52-2
• Molecular Formula: C4H10O4
• Molecular Weight: 122.121
• Hs Code.: 2905499000
• European Community (EC) Number: 621-282-7,626-535-5
• UNII: 6DN82XBT5M
• DSSTox Substance ID: DTXSID801016717,DTXSID801336604
• Nikkaji Number: J7.872G
• Wikipedia: Threitol
• Wikidata: Q415347
• Metabolomics Workbench ID: 38475
• Mol file: 2418-52-2.mol

Synonyms:threitol;threitol, ((R*,R*)-(+-))-isomer;threitol, (R-(R*,R*))-isomer

Chemical Property of D-Threitol

Chemical Property:

• Melting Point: 88-90 °C(lit.)
• Boiling Point: 330 °C at 760 mmHg
• PKA: 13.27±0.20(Predicted)
• Flash Point: 208.7 °C
• PSA: 80.92000
• Density: 1.43 g/cm³
• LogP: -2.30720
• Storage Temp.: -20°C
• Solubility.: Methanol (Slightly), Water (Slightly)
• XLogP3: -2.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 122.05790880
• Heavy Atom Count: 8
• Complexity: 48

Purity/Quality:

D-Threitol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Alcohols and Polyols, Other
• Canonical SMILES: C(C(C(CO)O)O)O
• Isomeric SMILES: C([C@H]([C@@H](CO)O)O)O
• Uses: D-Threitol is one of the major components of the extract of fruiting bodies of Hericium erinaceus.

Technology Process of D-Threitol

There total 67 articles about D-Threitol 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: 99.0%

cis-2,3-epoxy-1,4-butanediol (4440-87-3,63621-92-1) → 1,2,3,4-butanetetrol (2319-57-5,2418-52-2,6968-16-7,7493-90-5,7541-59-5,10030-58-7,188346-77-2,149-32-6)

Guidance literature:

With water; at 100 ℃; for 9h;

DOI:10.1021/jo702401t

Reference yield: 60.0%

1,4-butenediol (821-11-4,6117-80-2,110-64-5) → 1,2,3,4-butanetetrol (2319-57-5,2418-52-2,6968-16-7,7493-90-5,7541-59-5,10030-58-7,188346-77-2,149-32-6)

Guidance literature:

With potassium permanganate; dihydrogen peroxide; In water; acetone; at 0 ℃; for 2h; Temperature; Inert atmosphere; Green chemistry;

DOI:10.1039/c5ra01646k

Reference yield: 53.6%

cellulose (9004-34-6) → 1,2,3,4-butanetetrol (2319-57-5,2418-52-2,6968-16-7,7493-90-5,7541-59-5,10030-58-7,188346-77-2,149-32-6) + ethylene glycol (107-21-1)

Guidance literature:

With ruthenium-carbon composite; hydrogen; In water; at 215 ℃; for 1.5h; under 39003.9 Torr; Reagent/catalyst; Catalytic behavior; Autoclave;

DOI:10.1039/c6ra27524a

upstream raw materials:

D-threose

glucose

D-Xylose

<2R-(2α(2R*(2'S*,3a'R*,4'R*,7'R*,7a'R*),3R*),3aα,4β,7β,7aα)>-2,4-Bis<(octahydro-7,8,8-trimethyl-4,7-methanobenzofuran-2-yl)oxy>-1,3-butandiol

Downstream raw materials:

D-tartaric acid

2,2,2',2'-tetramethyl-tetrahydro-[4,4']bi[1,3,2]dioxasilolyl

1,2,3,4-tetrachlorobutane

formic acid

Refernces

• 1、 Rohini,Hebbar, H. Umesh. "Photocatalytic Conversion of Xylose to Xylitol over Copper Doped Zinc Oxide Catalyst". . p. 2583 - 2594. Retrieved 2021/02/05.
• 2、 -. "CYCLIC COMPOUND". Paragraph 0321. . Retrieved 2018/04/13.