(2S,3S)-1,4-Dichlorobutane-diol Sulfate

Base Information

• Chemical Name: (2S,3S)-1,4-Dichlorobutane-diol Sulfate
• CAS No.: 190850-76-1
• Molecular Formula: C₄H₆Cl₂O₄S
• Molecular Weight: 221.061
• DSSTox Substance ID: DTXSID70456217
• Wikidata: Q82278485
• Mol file: 190850-76-1.mol

Synonyms:(2S,3S)-1,4-Dichlorobutane-diol Sulfate;190850-76-1;(4S,5S)-4,5-Bis(chloromethyl)-1,3,2-dioxathiolane 2,2-dioxide;1,3,2-Dioxathiolane, 4,5-bis(chloromethyl)-, 2,2-dioxide, (4S,5S)-;DTXSID70456217;AKOS030241180;(4S,5S)-4,5-bis(chloromethyl)-1,3,2;J-012330;(4S,5S)-4,5-bis(chloromethyl)-1,3,2|E?-dioxathiolane-2,2-dione

Chemical Property of (2S,3S)-1,4-Dichlorobutane-diol Sulfate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.48
• Boiling Point: 356.603°C at 760 mmHg
• Flash Point: 169.468°C
• PSA: 60.98000
• Density: 1.554g/cm³
• LogP: 1.57360
• Solubility.: Chloroform, Dichloromethane, Ethyl Acetate, Methanol
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 219.9363852
• Heavy Atom Count: 11
• Complexity: 203

Purity/Quality:

95% ^*data from raw suppliers

(2S,3S)-1,4-Dichlorobutane-diolSulfate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C1C(OS(=O)(=O)O1)CCl)Cl
• Isomeric SMILES: C([C@@H]1[C@H](OS(=O)(=O)O1)CCl)Cl
• Uses: (2S,3S)-1,4-Dichlorobutane-diol Sulfate (cas# 190850-76-1) is a compound useful in organic synthesis.

Technology Process of (2S,3S)-1,4-Dichlorobutane-diol Sulfate

There total 1 articles about (2S,3S)-1,4-Dichlorobutane-diol Sulfate 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%

(2S,3S)-1,4-dichlorobutan-2,3-diol (139165-54-1) → 1,4-dichlorobutane-(2S,3S)-diol sulfate (190850-76-1)

Guidance literature:

(2S,3S)-1,4-dichlorobutan-2,3-diol; With thionyl chloride; In tetrachloromethane; for 0.5h; Heating;

With ruthenium trichloride; sodium periodate; In tetrachloromethane; water; acetonitrile; at 0 ℃; for 1h; Further stages.;

DOI:10.1021/ol016147s

upstream raw materials:

(2S,3S)-1,4-dichlorobutan-2,3-diol

Refernces

• 1、 Kim, B. Moon,Bae, Sung Jin,Seomoon, Gunn. "Synthesis of novel, optically active, heterocyclic amino alcohols through desymmetrization of a C2-symmetric cyclic sulfate". . p. 6921 - 6922. Retrieved 2007/10/03.