(S)-1-Phenylethanethiol

Base Information

• Chemical Name: (S)-1-Phenylethanethiol
• CAS No.: 33877-11-1
• Molecular Formula: C8H10S
• Molecular Weight: 138.233
• Mol file: 33877-11-1.mol

Synonyms:Benzenemethanethiol,a-methyl-, (S)-;a-Toluenethiol, a-methyl-, (S)-(-)- (8CI);

Chemical Property of (S)-1-Phenylethanethiol

Chemical Property:

• Vapor Pressure: 0.465mmHg at 25°C
• Melting Point: -30°C (estimate)
• Refractive Index: 1.55
• Boiling Point: 200.197 °C at 760 mmHg
• PKA: 10.12±0.10(Predicted)
• Flash Point: 77.941 °C
• PSA: 38.80000
• Density: 1.009 g/cm³
• LogP: 2.67740

Purity/Quality:

99.3% ^*data from raw suppliers

(1S)-1-phenylethane-1-thiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (S)-1-Phenylethanethiol

There total 42 articles about (S)-1-Phenylethanethiol 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: 99.0%

thioacetic acid S-((S)-1-phenylethyl) ester (62258-06-4,67385-07-3,133098-85-8) → (S)-1-mercapto-1-phenylethane (33877-11-1)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether;

DOI:10.1002/anie.199727841

Reference yield: 83.0%

1-phenylethyl thiocyanate (124908-16-3,106162-83-8) → 1-Phenylethanethiol (33877-11-1,33877-16-6,75081-57-1,6263-65-6)

Guidance literature:

With tetraphosphorus decasulfide; In toluene; for 3h; Reflux;

DOI:10.3762/bjoc.13.117

Reference yield: 82.0%

(1R,2S,4R,6S,7R)-1,10,10-Trimethyl-4-(1-phenyl-ethylsulfanyl)-3-oxa-tricyclo[5.2.1.02,6]decane (81978-48-5,82009-53-8) → (S)-1-mercapto-1-phenylethane (33877-11-1)

Guidance literature:

With toluene-4-sulfonic acid; In methanol; at 45 ℃; for 15h;

upstream raw materials:

di(α-methylbenzyl)disulfide

(1-bromoethyl)benzne

acetophenone

Dithiophosphorsaeure-O,O'-diisopropylester-S-(α-methyl-benzylester)

Downstream raw materials:

(2,4-dinitro-phenyl)-(1-phenyl-ethyl)-sulfide

S-<α-Methyl-benzylmercapto>-thioglykolsaeure-methylester

C₉H₁₂N₂S₂

Trithiophosphoric acid S-benzyl ester S',S''-bis-(1-phenyl-ethyl) ester

Refernces

• 1、 -. "1-aryl ethanesulfonic acid and preparation method of its derivative". Paragraph 0032-0034. . Retrieved 2018/04/03.
• 2、 Knoppe, Stefan,Kothalawala, Nuwan,Jupally, Vijay Reddy,Dass, Amala,Buergi, Thomas. "Ligand dependence of the synthetic approach and chiroptical properties of a magic cluster protected with a bicyclic chiral thiolate". supporting information; experimental part. p. 4630 - 4632. Retrieved 2012/06/15.