1-Naphthalenethiol

Base Information

• Chemical Name: 1-Naphthalenethiol
• CAS No.: 529-36-2
• Molecular Formula: C10H8S
• Molecular Weight: 160.24
• Hs Code.: 29309099
• European Community (EC) Number: 208-462-7
• UNII: 9A78CP495H
• DSSTox Substance ID: DTXSID6060185
• Nikkaji Number: J7.419E
• Wikipedia: 1-Naphthalenethiol
• Wikidata: Q27272264
• ChEMBL ID: CHEMBL4094874
• Mol file: 529-36-2.mol

Synonyms:1-naphthalenethiol

Chemical Property of 1-Naphthalenethiol

Chemical Property:

• Appearance/Colour: clear light yellow to yellow liquid
• Vapor Pressure: 0.00495mmHg at 25°C
• Melting Point: 15 °C
• Refractive Index: 1.679-1.681
• Boiling Point: 285 °C at 760 mmHg
• PKA: 6?+-.0.30(Predicted)
• Flash Point: 134.2 °C
• PSA: 38.80000
• Density: 1.176 g/cm³
• LogP: 3.12850
• Water Solubility.: Soluble in diethyl ether and ethanol. Slightly soluble in water and dilute alkalis.
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 160.03467143
• Heavy Atom Count: 11
• Complexity: 133

Purity/Quality:

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

1-Naphthalenethiol 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N
• Hazard Codes: Xn,N
• Statements: 20/21/22-36/37/38-51-22
• Safety Statements: 24/25-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC=C2S
• Uses: 1-Thionaphthol is used to produce the di-[1]naphthyl disulfide. It is also used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff. 1-NAT can be used as a model analyte to characterize the performance of the surface enhanced raman scattering (SERS).

Technology Process of 1-Naphthalenethiol

There total 40 articles about 1-Naphthalenethiol 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: 98.0%

1-Iodonaphthalene (90-14-2) → 1-Naphthalenethiol (529-36-2)

Guidance literature:

With copper(ll) sulfate pentahydrate; ethane-1,2-dithiol; potassium hydroxide; In water; dimethyl sulfoxide; at 90 ℃; for 20h; Inert atmosphere;

DOI:10.1002/adsc.201400941

Reference yield: 95.0%

1-Bromonaphthalene (90-11-9) → 1-Naphthalenethiol (529-36-2)

Guidance literature:

With hydrogenchloride; sodium thioethylate; 1.) DMF, reflux, 22 h;

DOI:10.1055/s-1983-30501

Reference yield: 95.0%

1-Naphthalenesulfonyl chloride (85-46-1) → 1-Naphthalenethiol (529-36-2)

Guidance literature:

With ISOPROPYLAMIDE; dimethylsilicon dichloride; zinc; In 1,2-dichloro-ethane; at 75 ℃; for 1h;

DOI:10.1016/S0040-4039(99)00408-6

upstream raw materials:

naphthalene

1-Naphthalenesulfonyl chloride

naphthalene-1-sulfonyl bromide

potassium ethyl xanthogenate

Downstream raw materials:

Benzhydryl-2-naphthyl-sulfid

[1]naphthyl-trityl sulfide

1-(benzylsulfanyl)naphthalene

1-naphtyl phenacyl sulfide

Refernces

• 1、 -. "Method for preparing sulfhydryl compounds by hydroxyl substitution and sulfhydryl compounds". Paragraph 0058; 0059; 0060; 0067; 0068; 0069. . Retrieved 2017/06/02.
• 2、 Liu, Yajun,Kim, Jihye,Seo, Heesun,Park, Sunghyouk,Chae, Junghyun. "Copper(II)-Catalyzed Single-Step Synthesis of Aryl Thiols from Aryl Halides and 1,2-Ethanedithiol". supporting information. p. 2205 - 2212. Retrieved 2015/07/27.