1,3-Benzenedimethanethiol

Base Information

• Chemical Name: 1,3-Benzenedimethanethiol
• CAS No.: 41563-69-3
• Molecular Formula: C8H10S2
• Molecular Weight: 170.299
• Hs Code.: 2930909090
• Mol file: 41563-69-3.mol

Synonyms:1,3-Bis(mercaptomethyl)benzene;1,3-Xylene-a,a'-dithiol;1,3-Xylylenedithiol;m-Xylene-a,a'-dithiol;m-Xylylenedithiol;a,a'-m-Xylenedithiol;

Chemical Property of 1,3-Benzenedimethanethiol

Chemical Property:

• Vapor Pressure: 0.00364mmHg at 25°C
• Refractive Index: n20/D 1.6207(lit.)
• Boiling Point: 290.3 °C at 760 mmHg
• PKA: 9.36±0.10(Predicted)
• Flash Point: 118 °C
• PSA: 77.60000
• Density: 1.15
• LogP: 2.54620

Purity/Quality:

99.9% ^*data from raw suppliers

1,3-Benzenedimethanethiol >98.0%(GC) ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

Useful:

Technology Process of 1,3-Benzenedimethanethiol

There total 7 articles about 1,3-Benzenedimethanethiol 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-bis-(bromomethyl)benzene (626-15-3) → 1,3-bis(mercaptomethyl)benzene (41563-69-3)

Guidance literature:

1,3-bis-(bromomethyl)benzene; With thiourea; In ethanol; for 4h; Inert atmosphere;

With water; sodium hydroxide; for 4h; Inert atmosphere;

DOI:10.1002/ejoc.201501058

Reference yield: 90.0%

3-(chloromethyl)benzyl chloride (626-16-4) → 1,3-bis(mercaptomethyl)benzene (41563-69-3)

Guidance literature:

With thiourea; In ethanol; for 2h; Heating;

DOI:10.1016/S0022-1139(00)85095-2

Reference yield: 85.0%

1,3-bis(t-butylthiomethyl)benzene (70606-45-0) → 1,3-bis(mercaptomethyl)benzene (41563-69-3)

Guidance literature:

1,3-bis(t-butylthiomethyl)benzene; With 2,6-dimethylpyridine; dimethyl-(methylthio)-sulphonium trifluoromethanesulphonate; In tetrahydrofuran; for 3h;

With trimethylphosphane; In tetrahydrofuran; water; for 3h; Further stages.;

DOI:10.1055/s-2007-991091

upstream raw materials:

1,3-dimethanol benzene

3-(chloromethyl)benzyl chloride

1,3-Bis(isothiouroniummethyl)benzene hydrobromide

1,3-bis(t-butylthiomethyl)benzene

Downstream raw materials:

1,3-bis(β-epoxypropylthiomethyl)benzene

1,3-di-{[(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)dithio]methyl}benzene

1,3-di-{[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)dithio]methyl}benzene

3,3'-[1,3-phenylenebis(sulfinyl)]bispropanoic acid 1,1'-dimethyl ester

Refernces

• 1、 Rasheed, Omer K.,Bailey, Patrick D.,Lawrence, Amy,Quayle, Peter,Raftery, James. "A Modular Synthesis of Multidentate S-, N- and O-Containing Meta- and Paracyclophanes". supporting information. p. 6988 - 6993. Retrieved 2015/11/16.
• 2、 Luening, Ulrich,Wangnick, Carsten,Peters, Karl,Schnering, Hans Georg von. "Concave Reagents, 7. Concave Benzoic Acids". . p. 397 - 402. Retrieved 2007/10/02.