2-Naphthalenecarboxamide, 3-hydroxy-N-(2-hydroxyethyl)-

Base Information

• Chemical Name: 2-Naphthalenecarboxamide, 3-hydroxy-N-(2-hydroxyethyl)-
• CAS No.: 92-80-8
• Deprecated CAS: 70002-78-7
• Molecular Formula: C13H13 N O3
• Molecular Weight: 231.251
• Hs Code.: 2924299090
• European Community (EC) Number: 202-191-8
• NSC Number: 60579
• UNII: R909LHN7LQ
• DSSTox Substance ID: DTXSID7059068
• Nikkaji Number: J170.894E
• Wikidata: Q81988659
• ChEMBL ID: CHEMBL1557332
• Mol file: 92-80-8.mol

Synonyms:92-80-8;3-hydroxy-N-(2-hydroxyethyl)-2-naphthamide;3-Hydroxy-N-(2-hydroxyethyl)naphthalene-2-carboxamide;2-Naphthalenecarboxamide, 3-hydroxy-N-(2-hydroxyethyl)-;2-hydroxy-3-naphthoic acid ethanolamide;2-Hydroxy-3-[(2-hydroxyethyl)carbamoyl]naphthalene;R909LHN7LQ;3-Hydroxy-2-naphthoic acid, ethanolamide;MLS000061208;MLS000737376;2-Naphthamide, 3-hydroxy-N-(2-hydroxyethyl)-;EINECS 202-191-8;NSC 60579;NSC-60579;beta-(2-Hydroxy-3-naphthoyl)aminoethanol;SMR000069276;.beta.-(2-Hydroxy-3-naphthoyl)aminoethanol;3-Hydroxy-N-(2-hydroxyethyl)-2-naphthoamide;3-hydroxy-N-(2-hydroxyethyl)-2-naphthalenecarboxamide;2-Hydroxy-3-(beta-hydroxyethylamidocarbonyl)naphthalene;NSC60579;2-Hydroxy-3-naphthoic acid-N-ethanoylamide;2-HYDROXY-3-NAPHTHOICACIDETHANOLAMIDE;UNII-R909LHN7LQ;Oprea1_676426;cid_66722;SCHEMBL4579542;2-Naphthalenecarboxamide,3-hydroxy-N-(2-hydroxyethyl)-;CHEMBL1557332;DTXSID7059068;BDBM53589;HMS2455A23;MFCD00021642;STK739522;AKOS001754897;SDCCGMLS-0010467.P002;CS-0319101;EU-0085455;AB00076866-01;2-HYDROXY-3-N-(2-HYDROXYETHYL)NAPHTHAMIDE;SR-01000525563;3-hydroxy-N-(2-hydroxyethyl)naphthalen-2-carboxamid;SR-01000525563-1;2-HYDROXY-3-NAPHTHOIC ACID-(2-HYDROXYETHYL)AMIDE;N-(.BETA.-HYDROXYETHYL)-3-HYDROXY-2-NAPHTHAMIDE;N-(2-hydroxyethyl)-3-oxidanyl-naphthalene-2-carboxamide;2-Hydroxy-3-(.beta.-hydroxyethylamidocarbonyl)naphthalene;2-HYDROXYNAPHTHALENE-3-(N-(.BETA.-HYDROXYETHYL)CARBOXAMIDE)

Chemical Property of 2-Naphthalenecarboxamide, 3-hydroxy-N-(2-hydroxyethyl)-

Chemical Property:

• Vapor Pressure: 1.21E-11mmHg at 25°C
• Melting Point: 134 °C
• Boiling Point: 520.1°C at 760 mmHg
• PKA: 8.78±0.40(Predicted)
• Flash Point: 268.3°C
• PSA: 69.56000
• Density: 1.311g/cm³
• LogP: 1.65840
• XLogP3: 2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 231.08954328
• Heavy Atom Count: 17
• Complexity: 269

Purity/Quality:

96% 1H NMR ^*data from raw suppliers

2-HYDROXY-3-NAPHTHOIC ACID ETHANOLAMIDE Aldrich ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C2C=C(C(=CC2=C1)C(=O)NCCO)O

Technology Process of 2-Naphthalenecarboxamide, 3-hydroxy-N-(2-hydroxyethyl)-

There total 6 articles about 2-Naphthalenecarboxamide, 3-hydroxy-N-(2-hydroxyethyl)- 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: 35.0%

3-hydroxy-2-naphthoic acid methyl ester (883-99-8) + ethanolamine (141-43-5) → 2-hydroxy-3-naphthamide (92-80-8)

Guidance literature:

for 0.25h; Heating;

DOI:10.1039/a901936g

Reference yield: 20.0%

ethanolamine (141-43-5) + 3-Hydroxy-2-naphthoic acid (92-70-6) → 2-hydroxy-3-naphthamide (92-80-8)

Guidance literature:

3-Hydroxy-2-naphthoic acid; With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 60 ℃; for 1h;

ethanolamine; With triethylamine; In N,N-dimethyl-formamide; at 60 ℃; for 16h;

DOI:10.1002/cmdc.202000271

Reference yield:

3-Hydroxy-2-naphthoic acid (92-70-6) → 2-hydroxy-3-naphthamide (92-80-8)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid / Heating

2: dmap; dicyclohexyl-carbodiimide

With dmap; sulfuric acid; dicyclohexyl-carbodiimide; 2: |Steglich Esterification;

DOI:10.1016/j.poly.2014.03.024

upstream raw materials:

3-hydroxy-2-naphthoic acid methyl ester

ethanolamine

3-Hydroxy-2-naphthoic acid

Downstream raw materials:

1-(4-diethylaminophenylazo)-3-(2-hydroxyethylcarbamoyl)-2-hydroxynaphthalene