3-(Phenylmethoxy)benzenethiol

Base Information

• Chemical Name: 3-(Phenylmethoxy)benzenethiol
• CAS No.: 431878-96-5
• Molecular Formula: C13H12OS
• Molecular Weight: 216.304
• Mol file: 431878-96-5.mol

Synonyms:3-(Phenylmethoxy)benzenethiol;3-Benzyloxybenzenethiol

Chemical Property of 3-(Phenylmethoxy)benzenethiol

Chemical Property:

• Boiling Point: 353℃
• PKA: 6.36±0.10(Predicted)
• Flash Point: 167℃
• PSA: 48.03000
• Density: 1.158
• LogP: 3.55430

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-(BENZYLOXY)BENZENETHIOL ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-(Phenylmethoxy)benzenethiol

There total 9 articles about 3-(Phenylmethoxy)benzenethiol 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%

S-(3-benzyloxy)phenyldimethylthiocarbamate (883718-67-0) → 3-(benzyloxy)benzenethiol (431878-96-5)

Guidance literature:

S-(3-benzyloxy)phenyldimethylthiocarbamate; With sodium hydroxide; water; isopropyl alcohol; for 6h; Heating / reflux;

With hydrogenchloride; water; isopropyl alcohol; at 0 ℃;

Reference yield: 66.4%

→ 3-(benzyloxy)benzenethiol (431878-96-5)

Guidance literature:

With ethanol; sodium hydroxide; at 65 ℃; for 2h;

Reference yield:

C16H16O2S2 (865459-97-8) → 3-(benzyloxy)benzenethiol (431878-96-5)

Guidance literature:

C₁₆H₁₆O₂S₂; With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃; for 0.5h;

With hydrogenchloride; water; acetone; In tetrahydrofuran; ethyl acetate;

upstream raw materials:

C₁₆H₁₆O₂S₂

S-(3-benzyloxy)phenyldimethylthiocarbamate

benzyl bromide

3-benzyloxybenzenesulfonyl chloride

Downstream raw materials:

4-[3-(benzyloxy)phenylthio]-2-chlorobenzaldehyde

(R)-4-(6-(3-(benzyloxy)phenylthio)naphthalen-2-yl)-4-methyloxazolidin-2-one

tert-Butyl 5-(6-(3-(benzyloxy)phenylthio)-1,2,3,4-tetrahydronaphthalen-2-yl)-2,2-dimethyl-1,3-dioxan-5-ylcarbamate

C₂₂H₂₆O₃S

Refernces

• 1、 Zhu, Peng-Ju,Yu, Ze-Zhou,Lv, Yi-Fei,Zhao, Jing-Long,Tong, Yuan-Yuan,You, Qi-Dong,Jiang, Zheng-Yu. "Discovery of 3,5-Dimethyl-4-Sulfonyl-1 H-Pyrrole-Based Myeloid Cell Leukemia 1 Inhibitors with High Affinity, Selectivity, and Oral Bioavailability". . p. 11330 - 11353. Retrieved 2021/08/24.
• 2、 -. "A NOVEL PROCESS FOR THE PREPARATION OF 3-(BENZYLOXY)- BENZENETHIOL, A KEY INTERMEDIATE FOR THE PREPARATION OF PHARMACEUTICAL DRUGS.". . . Retrieved 2012/06/16.