1-Amino-2-naphthalenethiol

Base Information

• Chemical Name: 1-Amino-2-naphthalenethiol
• CAS No.: 63512-54-9
• Molecular Formula: C10H9NS
• Molecular Weight: 175.254
• DSSTox Substance ID: DTXSID0069919
• Nikkaji Number: J429.596J
• Wikidata: Q81997029
• Mol file: 63512-54-9.mol

Synonyms:1-Amino-2-naphthalenethiol;63512-54-9;2-Naphthalenethiol, 1-amino-;1-Amino-naphthalene-2-thiol;1-aminonaphthalene-2-thiol;C10H9NS;SCHEMBL690649;DTXSID0069919;AKOS005061663;BB 0243859

Chemical Property of 1-Amino-2-naphthalenethiol

Chemical Property:

• Vapor Pressure: 5.63E-05mmHg at 25°C
• Boiling Point: 346.8°C at 760 mmHg
• Flash Point: 163.5°C
• PSA: 64.82000
• Density: 1.265g/cm³
• LogP: 3.29190
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 175.04557046
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC(=C2N)S

Technology Process of 1-Amino-2-naphthalenethiol

There total 9 articles about 1-Amino-2-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: 69.9%

SKA-31 (40172-65-4) → 1-aminonaphthalene-2-thiol (63512-54-9)

Guidance literature:

With sodium hydroxide; In water; ethylene glycol; for 20h; Reflux; Inert atmosphere;

DOI:10.1246/cl.150036

Reference yield:

naphthalen-1-yl-thiourea (86-88-4) → 1-aminonaphthalene-2-thiol (63512-54-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) bromine, AcOH 2.) 25percent NH₄OH / 1.) room temp. 2.) room temp.

2: KOH / 2-methoxy-ethanol; H₂O / Heating

With potassium hydroxide; ammonium hydroxide; bromine; acetic acid; In 2-methoxy-ethanol; water;

DOI:10.1248/cpb.39.2888

Reference yield:

→ 1-aminonaphthalene-2-thiol (63512-54-9)

Guidance literature:

With potassium hydroxide; at 250 ℃;

upstream raw materials:

SKA-31

1H-naphtho[1,2-d]thiazole-2-thione

2-Phenyl-naphtho<1,2-d>thiazol

[2,2']bi[naphtho[1,2-d]thiazolyl]

Downstream raw materials:

2-methylnaphtho[1,2-d]thiazole

1-methyl-cyclohexanecarbothioic acid S-{1-[(1-methyl-cyclohexanecarbonyl)-amino]-naphthalen-2-yl}ester

3,3-dimethyl-D-cysteine

3-(4-chlorophenyl)-1H-naphtho-[2,1-b][1,4]thiazin-2(3H)-one

Refernces

• 1、 -. "MONOAZO COMPOUND AND METHOD FOR PRODUCING SAME". Page/Page column 9-10. . Retrieved 2008/06/13.
• 2、 -. "NAPHTHO[1,2-b][1,4]THIAZEPIN-4(5H)-ONES AND USE THEREOF IN TREATMENT OF ISCHEMIA AND BLOOD PRESSURE LOWERING". . . Retrieved 2008/06/13.