3-Phenylpropane-1-thiol

Base Information

• Chemical Name: 3-Phenylpropane-1-thiol
• CAS No.: 24734-68-7
• Molecular Formula: C9H12 S
• Molecular Weight: 152.26
• Hs Code.: 2930909090
• European Community (EC) Number: 246-440-9
• UNII: 8A56UF58KZ
• DSSTox Substance ID: DTXSID20179464
• Nikkaji Number: J286.387A
• Wikidata: Q83050003
• Mol file: 24734-68-7.mol

Synonyms:3-Phenylpropane-1-thiol;Benzenepropanethiol;24734-68-7;3-Phenyl-1-propanethiol;3-Phenylpropyl mercaptan;3-Phenylpropanethiol;3-Phenylpropylthiol;EINECS 246-440-9;8A56UF58KZ;3-phenylpropyl thiol;3-Phenylpropylmercaptan;3-phenyl-propane-1-thiol;1-Propanethiol, 3-phenyl-;UNII-8A56UF58KZ;SCHEMBL80775;.gamma.-Phenylpropyl mercaptan;DTXSID20179464;AKOS000169777;FT-0714711;EN300-74954;1-(5-BROMO-PYRIDINE-3-CARBONYL)-PYRROLIDINE-2-CARBOXYLICACID

Chemical Property of 3-Phenylpropane-1-thiol

Chemical Property:

• Vapor Pressure: 0.0535mmHg at 25°C
• Refractive Index: 1.5494
• Boiling Point: 242.2°Cat760mmHg
• PKA: 10.32±0.10(Predicted)
• Flash Point: 90.6°C
• PSA: 38.80000
• Density: 0.996g/cm³
• LogP: 2.54900
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 152.06597156
• Heavy Atom Count: 10
• Complexity: 74.8

Purity/Quality:

98%Min ^*data from raw suppliers

3-PHENYL-1-PROPANETHIOL ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCCS

Technology Process of 3-Phenylpropane-1-thiol

There total 16 articles about 3-Phenylpropane-1-thiol 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-phenylpropyl) ethanethioate (30134-13-5) → 3-Phenylpropane-1-thiol (24734-68-7)

Guidance literature:

With water; hydrophobic polystyrene-supported sulfonic acid; for 24h; Heating;

DOI:10.1021/ol026906m

Reference yield: 97.0%

thiocarbonic acid O-allyl ester S-(3-phenyl-propyl) ester → 3-Phenylpropane-1-thiol (24734-68-7)

Guidance literature:

With trisodium tris(3-sulfophenyl)phosphine; water; diethylamine; palladium diacetate; heptakis(2,6-di-O-methyl)cyclomaltoheptaose; In toluene; at 20 ℃; for 1h;

Reference yield: 95.0%

4-(3-phenyl-propylsulfanylmethyl)-benzonitrile → 3-Phenylpropane-1-thiol (24734-68-7)

Guidance literature:

With Triethylgermyl-natrium; In 1,4-dioxane; N,N,N,N,N,N-hexamethylphosphoric triamide; at 50 ℃; for 30h;

DOI:10.1246/cl.2002.1032

upstream raw materials:

dithiocarbamic acid-(3-phenyl-propyl ester)

1,2-bis(3-phenylpropyl)disulfane

(3-Methyldisulfanyl-propyl)-benzene

1-Bromo-3-phenylpropane

Downstream raw materials:

2-(3-Phenyl-propylmercapto)-ethan-1-ol

6-(3'-phenylpropylthio)pyridazin-3-amine

(3-Phenylpropyl)-2,3,4,6-tetra-O-benzyl-1-thio-α-D-glucopyranosid

1-(3-phenylpropylsulfanyl)propan-2-one

Refernces

• 1、 Schuster, Swen,Füser, Matthias,Asyuda, Andika,Cyganik, Piotr,Terfort, Andreas,Zharnikov, Michael. "Photoisomerization of azobenzene-substituted alkanethiolates on Au(111) substrates in the context of work function variation: The effect of structure and packing density". . p. 9098 - 9105. Retrieved 2019/05/21.
• 2、 Shiely, Amy E.,Clarke, Leslie-Ann,Flynn, Christopher J.,Buckley, Aoife M.,Ford, Alan,Lawrence, Simon E.,Maguire, Anita R.. "Substrate and Catalyst Effects in the Enantioselective Copper-Catalysed C–H Insertion Reactions of α-Diazo-β-oxo Sulfones". . p. 2277 - 2289. Retrieved 2018/06/04.