(2-([2-(Hydroxymethyl)phenyl]disulfanyl)phenyl)methanol

Base Information

• Chemical Name: (2-([2-(Hydroxymethyl)phenyl]disulfanyl)phenyl)methanol
• CAS No.: 35190-71-7
• Molecular Formula: C14H14O2S2
• Molecular Weight: 278.396
• DSSTox Substance ID: DTXSID50355698
• Nikkaji Number: J2.607.718D
• Wikidata: Q82134733
• ChEMBL ID: CHEMBL1553409
• Mol file: 35190-71-7.mol

Synonyms:35190-71-7;(2-([2-(HYDROXYMETHYL)PHENYL]DISULFANYL)PHENYL)METHANOL;[2-[[2-(hydroxymethyl)phenyl]disulfanyl]phenyl]methanol;MLS001181000;(2-{[2-(hydroxymethyl)phenyl]disulfanyl}phenyl)methanol;SMR000475641;bis(2-hydroxymethylphenyl) disulfide;cid_816729;SCHEMBL7262305;CHEMBL1553409;BDBM60846;DTXSID50355698;GBCUGUWBYDCGFX-UHFFFAOYSA-N;HMS2803I20;NSC819567;NSC-819567;[Disulfanediyldi(2,1-phenylene)]dimethanol;(Disulfanediylbis(2,1-phenylene))dimethanol;FT-0623113;2,2'-disulfanediylbis(2,1-phenylene)dimethanol;BIS-[2-(HYDROXYMETHYL)PHENYL] DISULFIDE;[2-[(2-methylolphenyl)disulfanyl]phenyl]methanol;AA-516/30040045

Chemical Property of (2-([2-(Hydroxymethyl)phenyl]disulfanyl)phenyl)methanol

Chemical Property:

• Boiling Point: 451.1 °C at 760 mmHg
• Flash Point: 218.9 °C
• PSA: 91.06000
• Density: 1.35 g/cm³
• LogP: 3.47060
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 278.04352203
• Heavy Atom Count: 18
• Complexity: 214

Purity/Quality:

99% ^*data from raw suppliers

(2-([2-(HYDROXYMETHYL)PHENYL]DISULFANYL)PHENYL)METHANOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CO)SSC2=CC=CC=C2CO

Technology Process of (2-([2-(Hydroxymethyl)phenyl]disulfanyl)phenyl)methanol

There total 9 articles about (2-([2-(Hydroxymethyl)phenyl]disulfanyl)phenyl)methanol 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: 96.0%

o-hydroxymethyl thiophenol (4521-31-7) → 1,2-bis(2-(hydroxymethyl)phenyl)disulfane (35190-71-7)

Guidance literature:

With aluminum oxide; In neat (no solvent); for 0.333333h; chemoselective reaction; Milling;

DOI:10.1039/c3ra41996g

Reference yield: 75.0%

2,2'-dithiobenzoic acid (119-80-2) → 1,2-bis(2-(hydroxymethyl)phenyl)disulfane (35190-71-7)

Guidance literature:

With borane-THF; boron trifluoride diethyl etherate; In tetrahydrofuran; at 20 ℃; for 18h;

DOI:10.1080/00304940209355791

Reference yield: 39.0%

n-butyl 2-(hydroxymethyl)phenyl sulfoxide (100790-03-2) → 1,2-bis(2-(hydroxymethyl)phenyl)disulfane (35190-71-7) + 2-(hydroxymethyl)phenyl 2-(hydroxymethyl)benzenethiosulfonate (100790-10-1)

Guidance literature:

In toluene; for 48h; Heating;

DOI:10.1021/jo00357a017

upstream raw materials:

Thiosalicylic acid

propynoic acid methyl ester

n-butyl 2-(hydroxymethyl)phenyl sulfoxide

o-hydroxymethyl thiophenol

Downstream raw materials:

bis-(2-chloromethyl-phenyl)-disulfide

bis-(2-bromomethyl-phenyl)-disulfide

o-hydroxymethyl thiophenol

2-chloro-6-hydroxymethyl-benzenesulfonyl chloride