(4-Bromophenyl)(2,2-dimethoxyethyl)sulfane

Base Information

• Chemical Name: (4-Bromophenyl)(2,2-dimethoxyethyl)sulfane
• CAS No.: 118780-12-4
• Molecular Formula: C10H13BrO2S
• Molecular Weight: 277.182
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID70556988
• Wikidata: Q82438726
• Mol file: 118780-12-4.mol

Synonyms:(4-bromophenyl)(2,2-dimethoxyethyl)sulfane;118780-12-4;1-bromo-4-[(2,2-dimethoxyethyl)sulfanyl]benzene;1-bromo-4-(2,2-dimethoxyethylsulfanyl)benzene;1-BROMO-4-(2,2-DIMETHOXY-ETHYLSULFANYL)-BENZENE;1-bromo-4-[2,2-(dimethoxy)ethylsulfanyl]benzene;SCHEMBL573866;DTXSID70556988;MFCD08706041;AKOS000277849;EN300-395083;Y10057;1-bromo-4-(2,2-dimethoxyethyl-sulfenyl)benzene;1-bromo4-(2,2-dimethoxy-ethylsulfanyl)-benzene;A892925;Benzene, 1-bromo-4-[(2,2-dimethoxyethyl)thio]-;J-501371

Chemical Property of (4-Bromophenyl)(2,2-dimethoxyethyl)sulfane

Chemical Property:

• Appearance/Colour: cream
• Boiling Point: 313.994 °C at 760 mmHg
• Flash Point: 143.699 °C
• PSA: 43.76000
• Density: 1.413 g/cm³
• LogP: 3.16010
• Storage Temp.: 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 275.98196
• Heavy Atom Count: 14
• Complexity: 145

Purity/Quality:

99.0%Min ^*data from raw suppliers

(4-Bromophenyl)(2,2-dimethoxyethyl)sulfane 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(CSC1=CC=C(C=C1)Br)OC

Technology Process of (4-Bromophenyl)(2,2-dimethoxyethyl)sulfane

There total 3 articles about (4-Bromophenyl)(2,2-dimethoxyethyl)sulfane 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: 91.0%

1-bromo-2,2-dimethoxyethane (7252-83-7) + hexane-washed NaH + para-bromobenzenethiol (106-53-6) → 1-bromo-4-[2,2-(dimethoxy)ethylsulfanyl]benzene (118780-12-4)

Guidance literature:

In N,N-dimethyl-formamide;

Reference yield: 81.0%

1-bromo-2,2-dimethoxyethane (7252-83-7) + para-bromobenzenethiol (106-53-6) → 1-bromo-4-[2,2-(dimethoxy)ethylsulfanyl]benzene (118780-12-4)

Guidance literature:

With sodium ethanolate; In ethanol;

DOI:10.1039/b003818k

Reference yield:

1-bromo-2,2-dimethoxyethane (7252-83-7) → 1-bromo-4-[2,2-(dimethoxy)ethylsulfanyl]benzene (118780-12-4)

Guidance literature:

With ethanol;

upstream raw materials:

1-bromo-2,2-dimethoxyethane

para-bromobenzenethiol

Downstream raw materials:

4-Fluorophenyl 5-Methoxy-2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]benzo[b]thiophen-3-yl Ketone

5-methoxy-2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]benzo[b]thiophene

5-methoxybenzothiophene

5-(4-butylsulfanylphenyl)-2-iodo-1-benzothiophene

Refernces

• 1、 Mitsumori, Susumu,Tsuri, Tatsuo,Honma, Tsunetoshi,Hiramatsu, Yoshiharu,Okada, Toshihiko,Hashizume, Hiroshi,Inagaki, Masanao,Arimura, Akinori,Yasui, Kiyoshi,Asanuma, Fujio,Kishino, Junji,Ohtani, Mitsuaki. "Synthesis and biological activity of various derivatives of a novel class of potent, selective, and orally active prostaglandin D2 receptor antagonists. 2. 6,6-dimethylbicyclo[3.1.1]heptane derivatives". . p. 2446 - 2455. Retrieved 2007/10/03.
• 2、 Seed,Toyne,Goodby,Hird. "Synthesis, transition temperatures, and optical properties of various 2,6-disubstituted naphthalenes and related 1-benzothiophenes with butylsulfanyl and cyano or isothiocyanato terminal groups". . p. 2069 - 2080. Retrieved 2007/10/03.