Sulfurous acid, dibenzyl ester

Base Information

• Chemical Name: Sulfurous acid, dibenzyl ester
• CAS No.: 35506-85-5
• Molecular Formula: C14H14O3S
• Molecular Weight: 262.329
• Hs Code.: 2920909090
• NSC Number: 221173
• UNII: L6QE935XNW
• DSSTox Substance ID: DTXSID50189011
• Nikkaji Number: J48.690F
• Wikidata: Q83060910
• Mol file: 35506-85-5.mol

Synonyms:Sulfurous acid, dibenzyl ester;Benzyl sulfite;35506-85-5;Sulfurous acid, bis(phenylmethyl) ester;NSC 221173;BRN 2282617;L6QE935XNW;dibenzyl sulfite;NSC-221173;C14H14O3S;Dibenzylsulfit;UNII-L6QE935XNW;WLN: R1OSO&O1R;Sulfurous acid dibenzyl ester;SCHEMBL776935;BIS(PHENYLMETHYL) SULFITE;DTXSID50189011;C14-H14-O3-S;NSC221173;Sulfurous acid bis(phenylmethyl)ester;LS-148257

Chemical Property of Sulfurous acid, dibenzyl ester

Chemical Property:

• Vapor Pressure: 4.09E-06mmHg at 25°C
• Refractive Index: 1.5050 (estimate)
• Boiling Point: 395.8°C at 760 mmHg
• Flash Point: 193.2°C
• PSA: 54.74000
• Density: 1.278g/cm³
• LogP: 3.86440
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 262.06636548
• Heavy Atom Count: 18
• Complexity: 221

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COS(=O)OCC2=CC=CC=C2

Technology Process of Sulfurous acid, dibenzyl ester

There total 4 articles about Sulfurous acid, dibenzyl ester 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: 81.0%

benzyl alcohol (100-51-6,185532-71-2) → bis(benzyl) sulfite (35506-85-5)

Guidance literature:

With thionyl chloride; sodium sulfite; In dichloromethane; at 20 ℃; for 0.166667h;

DOI:10.1080/10426500490262577

Reference yield: 27.0%

benzyl alcohol (100-51-6,185532-71-2) → bis(benzyloxy) disulfide (3359-56-6) + bis(benzyl) sulfite (35506-85-5) + dibenzyl sulfoxylate

Guidance literature:

With sulfur dichloride; triethylamine; In dichloromethane; at -78 ℃; for 2h;

DOI:10.1021/jo991360b

Reference yield:

benzyl alcohol (100-51-6,185532-71-2) → bis(benzyl) sulfite (35506-85-5) + benzyl chloride (100-44-7)

Guidance literature:

With pyridine; thionyl chloride; In dichloromethane;

DOI:10.1016/j.tetlet.2014.03.116

upstream raw materials:

pyridine

benzyl alcohol

Downstream raw materials:

dibenzyl ether

benzyl alcohol

benzoic acid benzyl ester

benzaldehyde

Refernces

• 1、 Grenga, Paolo N.,Stoutenburg, Eric G.,Priefer, Ronny. "Photolytic decomposition of dibenzylic sulfites". . p. 4933 - 4937. Retrieved 2012/11/13.
• 2、 Tardif, Sylvie L.,Harpp, David N.. "Preparation of 4-substitute benzyl sulfoxylates and related chemistry". . p. 4791 - 4795. Retrieved 2007/10/03.