(2-Methylsulfanylphenyl)methanol

Base Information

• Chemical Name: (2-Methylsulfanylphenyl)methanol
• CAS No.: 33384-77-9
• Molecular Formula: C8H10 O S
• Molecular Weight: 154.233
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID80393563
• Nikkaji Number: J787.023J
• Mol file: 33384-77-9.mol

Synonyms:33384-77-9;[2-(methylsulfanyl)phenyl]methanol;(2-Methylsulfanyl-Phenyl)-Methanol;(2-methylsulfanylphenyl)methanol;2-(Methylthio)benzyl alcohol;(2-(methylthio)phenyl)methanol;F3308-2819;2-methylthio-benzylalcohol;2-methylthiobenzyl alcohol;2-Methylsulfanyl-benzyl alcohol;SCHEMBL1146142;DTXSID80393563;CYHMKGIVLYBEFY-UHFFFAOYSA-N;2-hydroxymethyl-1-methylthiobenzene;MFCD00196825;AKOS002367291;CS-0212963;FT-0727120;EN300-130107;Z1157829842

Chemical Property of (2-Methylsulfanylphenyl)methanol

Chemical Property:

• Boiling Point: 88 °C(Press: 0.001 Torr)
• PKA: 14.10±0.10(Predicted)
• PSA: 45.53000
• Density: 1.15±0.1 g/cm3(Predicted)
• LogP: 1.90080
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 154.04523611
• Heavy Atom Count: 10
• Complexity: 95.3

Purity/Quality:

99%min ^*data from raw suppliers

[2-(methylsulfanyl)phenyl]methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=CC=CC=C1CO

Technology Process of (2-Methylsulfanylphenyl)methanol

There total 11 articles about (2-Methylsulfanylphenyl)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: 97.0%

methyl 2-(methylthio)benzoate (3704-28-7) → 2-(methylthio)benzyl alcohol (33384-77-9)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 75 ℃;

DOI:10.1021/om9010966

Reference yield: 94.3%

2-(methylthio)benzoic acid (3724-10-5) → 2-(methylthio)benzyl alcohol (33384-77-9)

Guidance literature:

With borane-THF; In tetrahydrofuran; at 0 - 20 ℃; for 4h;

DOI:10.1039/c3ra45700a

Reference yield: 75.0%

o-hydroxymethyl thiophenol (4521-31-7) → 2-(methylthio)benzyl alcohol (33384-77-9)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide;

upstream raw materials:

2-(methylthio)benzoic acid

methyl 2-(methylthio)benzoate

o-hydroxymethyl thiophenol

carbonic acid dimethyl ester

Downstream raw materials:

2-methylmercaptobenzyl bromide

1-(4-methoxyphenyl)-2-phenylethane

1-Diazomethyl-3-methylsulfanyl-benzene

2-methylthio-4′-methoxy-trans-stilbene

Refernces

• 1、 Hedberg, Christinne,Jessen, Kamilla S.,Hansson, Rikke F.,Heuckendorff, Mads,Jensen, Henrik H.. "Palladium-Catalyzed C-S Bond Formation as a Tool for Latent-Active Glycosylation". supporting information. p. 7068 - 7072. Retrieved 2020/10/02.
• 2、 Johnson, Jahvon,Li, Sihan,Mo, Zixuan,Neary, Michelle C.,Zeng, Haisu,Zhang, Guoqi,Zheng, Shengping. "1-D manganese(ii)-terpyridine coordination polymers as precatalysts for hydrofunctionalisation of carbonyl compounds". . p. 2610 - 2615. Retrieved 2020/03/05.