2-Amino-1-naphthalenethiol

Base Information

• Chemical Name: 2-Amino-1-naphthalenethiol
• CAS No.: 53338-20-8
• Molecular Formula: C₁₀H₉NS
• Molecular Weight: 175.254
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID10484039
• Nikkaji Number: J89.770A
• Wikidata: Q82322005
• Mol file: 53338-20-8.mol

Synonyms:2-Amino-1-naphthalenethiol;2-Aminonaphthalene-1-thiol;53338-20-8;2-Amino-1-naphtalenethiol;SCHEMBL688705;2-amino-1-naphthyl hydrosulfide;DTXSID10484039;BSZMQMCPMFBCJT-UHFFFAOYSA-N;AKOS022639229;F0001-1379

Chemical Property of 2-Amino-1-naphthalenethiol

Chemical Property:

• Melting Point: 110 °C(Solv: ethanol (64-17-5))
• Boiling Point: 353.0±15.0 °C(Predicted)
• PKA: 7.66±0.30(Predicted)
• PSA: 64.82000
• Density: 1.265±0.06 g/cm3(Predicted)
• 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:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC(=C2S)N

Technology Process of 2-Amino-1-naphthalenethiol

There total 13 articles about 2-Amino-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: 90.0%

naphth<2,1-d>-1,2,3-dithiazol-2-oxide (3292-52-2) → 2-aminonaphthalene-1-thiol (53338-20-8)

Guidance literature:

With sodium hydroxide; In 2-methoxy-ethanol; at 50 - 55 ℃; for 1h;

DOI:10.1055/s-1990-26934

Reference yield:

naphtho[2,1-d]thiazol-2-amine (1203-55-0) → 2-aminonaphthalene-1-thiol (53338-20-8)

Guidance literature:

With sodium hydroxide; In n-heptane; water; ethylene glycol;

Reference yield:

2-Amino-1-thiocyanatonaphthalene (2476-69-9) → 2-aminonaphthalene-1-thiol (53338-20-8)

Guidance literature:

With sodium sulfide; In water; for 1h; Heating;

upstream raw materials:

naphth<2,1-d>-1,2,3-dithiazol-2-oxide

2-Amino-1-thiocyanatonaphthalene

naphthalen-2-ylamine

sulfuric acid

Downstream raw materials:

(2R,3S)-3-<(2-amino-1-naphthalenyl)thio>-2-hydroxy-3-(4-methoxyphenyl)propanoic acid (1R,2S)-2-phenylcyclohexyl ester hydrochloride

naphtho[2,1-d]thiazol-2(3H)-one

(2S,3S)-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-5-[2-(dimethylamino)ethyl]naphtho[1,2-b][1,4]thiazepin-4(5H)-one

(+)-cis-3-(acetyloxy)-2,3-dihydro-2-(4-methoxyphenyl)-5-<2-(dimethylamino)ethyl>naphtho<1,2-b><1,4>thiazepin-4(5H)-one hydrochloride