2-Benzyl-1,3-dithiane

Base Information

• Chemical Name: 2-Benzyl-1,3-dithiane
• CAS No.: 31593-52-9
• Molecular Formula: C11H14 S2
• Molecular Weight: 210.364
• NSC Number: 174639
• DSSTox Substance ID: DTXSID30306209
• Nikkaji Number: J977.232D
• Wikidata: Q82053184
• Mol file: 31593-52-9.mol

Synonyms:2-Benzyl-1,3-dithiane;31593-52-9;NSC174639;benzyl(1,3-dithiane);1,3-Dithiane, 2-benzyl;2-Benzyl-1,3-dithiane #;2-Phenylmethyl-1,3-dithiane;SCHEMBL3090521;DTXSID30306209;NSC-174639;10.14272/NBGQAPJQVZTDQE-UHFFFAOYSA-N;doi:10.14272/NBGQAPJQVZTDQE-UHFFFAOYSA-N

Chemical Property of 2-Benzyl-1,3-dithiane

Chemical Property:

• Vapor Pressure: 0.000258mmHg at 25°C
• Boiling Point: 333.8°Cat760mmHg
• Flash Point: 159.4°C
• Density: 1.145g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 210.05369279
• Heavy Atom Count: 13
• Complexity: 135

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CSC(SC1)CC2=CC=CC=C2

Technology Process of 2-Benzyl-1,3-dithiane

There total 19 articles about 2-Benzyl-1,3-dithiane 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: 100.0%

1,3 dithiane (505-23-7) + benzyl bromide (100-39-0) → 2-benzyl-1,3-dithiane (31593-52-9)

Guidance literature:

1,3 dithiane; With n-butyllithium; In tetrahydrofuran; hexane; at -22 ℃; for 1.5h; Inert atmosphere;

benzyl bromide; In tetrahydrofuran; hexane; at -78 - 20 ℃;

DOI:10.1002/adsc.201100627

Reference yield: 97.0%

1.3-propanedithiol (109-80-8) + phenylacetaldehyde (122-78-1) → 2-benzyl-1,3-dithiane (31593-52-9)

Guidance literature:

With copper bis(dodecyl sulfate); In water; at 20 ℃; for 0.333333h; Inert atmosphere;

DOI:10.1055/s-0029-1218693

Reference yield: 97.0%

phenylacetaldehyde (122-78-1) → 2-benzyl-1,3-dithiane (31593-52-9)

Guidance literature:

In acetonitrile; at 80 ℃; for 8h; chemoselective reaction;

DOI:10.1021/ol403313h

upstream raw materials:

1,3 dithiane

1,1,1,2,2,2-hexamethyldisilane

benzyl chloride

phenylacetic acid

Downstream raw materials:

(2-Benzyl-[1,3]dithian-2-yl)-phenyl-methanone oxime

2-(allyldimethylsilyl)-2-benzyl-1,3-dithiane

C₁₇H₁₅NO₄

C₁₇H₁₅NO₄

Refernces

• 1、 Cao, Weidi,Tan, Davin,Lee, Richmond,Tan, Choon-Hong. "Enantioselective 1,2-Anionotropic Rearrangement of Acylsilane through a Bisguanidinium Silicate Ion Pair". supporting information. p. 1952 - 1955. Retrieved 2018/02/17.
• 2、 Yu, Chun-Jiao,Li, Rui,Gu, Peiming. "Intermolecular Schmidt reaction of alkyl azides with acyl silanes". supporting information. p. 3568 - 3570. Retrieved 2016/07/18.