(4-Isopropyl)thiophenol

Base Information

• Chemical Name: (4-Isopropyl)thiophenol
• CAS No.: 4946-14-9
• Molecular Formula: C9H12S
• Molecular Weight: 152.26
• Hs Code.: 29309090
• Mol file: 4946-14-9.mol

Synonyms:Benzenethiol,p-isopropyl- (6CI);p-Cumenethiol (7CI,8CI);4-Isopropylbenzenethiol;4-Isopropylthiophenol;p-Isopropylbenzenethiol;p-Isopropylphenyl mercaptan;p-Isopropylthiophenol;

Chemical Property of (4-Isopropyl)thiophenol

Chemical Property:

• Appearance/Colour: Transparent liquid.
• Vapor Pressure: 0.22mmHg at 25°C
• Refractive Index: n20/D 1.552(lit.)
• Boiling Point: 215.1 °C at 760 mmHg
• PKA: 6.79±0.10(Predicted)
• Flash Point: 86.4 °C
• PSA: 38.80000
• Density: 1 g/cm³
• LogP: 3.09870
• Storage Temp.: Refrigerator
• Sensitive.: Stench

Purity/Quality:

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

Isopropylbenzenethiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 20/21/22-34
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Uses: (4-Isopropyl)thiophenol is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields.

Technology Process of (4-Isopropyl)thiophenol

There total 8 articles about (4-Isopropyl)thiophenol 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: 95.8%

4-isopropylbenzenesulfonyl chloride (54997-90-9) → 4-mercapto-cumene (4946-14-9)

Guidance literature:

With hydrogenchloride; sodium sulfide; iron; triphenylphosphine; In water; toluene; at 40 ℃; for 1h; Reagent/catalyst; Temperature;

Reference yield: 90.0%

→ 4-mercapto-cumene (4946-14-9)

Guidance literature:

Reference yield:

Isopropylbenzene (98-82-8) → 4-mercapto-cumene (4946-14-9)

Guidance literature:

With chlorosulphuric acid; chloroform; at 0 ℃; Behandlung des Reaktionsprodukts mit Zink-Pulver und wss. H₂SO₄, anfangs bei 0grad, zuletzt bei Siedetemperatur;

DOI:10.1021/ja01200a069

upstream raw materials:

Isopropylbenzene

4-isopropylbenzenesulfonyl chloride

Thiocarbonic acid S-(4-isopropyl-phenyl) ester O-methyl ester

Downstream raw materials:

((E)-1,2-dichloro-vinyl)-(4-isopropyl-phenyl)-sulfide

(p-Isopropyl-phenylmercapto)-acetaldehyd-diethylacetal

methyl (4-(prop-2-yl)phenyl)sulfane

Refernces

• 1、 Bellale, Eknath V.,Chaudhari, Mahesh K.,Akamanchi, Krishnacharya G.. "A simple, fast and chemoselective method for the preparation of arylthiols". experimental part. p. 3211 - 3213. Retrieved 2010/03/01.
• 2、 Giovani, Elena,Napolitano, Elio,Pelosi, Paolo. "REAGENTS FOR 2-TETRAHYDROTHIENYL AND 2-TETRAHYDROTHIOPYRANYL CATIONS". . p. 257 - 260. Retrieved 2007/10/02.