8-Formyl-1-naphthoic acid

Base Information

• Chemical Name: 8-Formyl-1-naphthoic acid
• CAS No.: 5811-87-0
• Molecular Formula: C12H8O3
• Molecular Weight: 200.194
• Hs Code.: 29122900
• European Community (EC) Number: 227-377-6
• NSC Number: 100959
• DSSTox Substance ID: DTXSID8064012
• Nikkaji Number: J218.070G
• Wikidata: Q81991169
• Mol file: 5811-87-0.mol

Synonyms:5811-87-0;8-Formyl-1-naphthoic acid;1,8-Naphthalaldehydic acid;8-formylnaphthalene-1-carboxylic acid;Naphthaldehydic acid;8-Formyl-1-naphthalenecarboxylic acid;Naphthalaldehydic acid;peri-Naphthalaldehydic acid;1-Naphthalenecarboxylic acid, 8-formyl-;EINECS 227-377-6;NSC 100959;8-napthalic acid;8-Formyl-1-naphthoicacid;CBDivE_001859;SCHEMBL1688876;DTXSID8064012;1,8-NAPHTHALALDEHYDICACID;1,8-Naphthalaldehydic acid, 97%;MFCD00134159;NSC100959;STK670146;AKOS004114701;CS-W015625;NSC-100959;BS-42228;C16024;EN300-321332;SR-01000116674;SR-01000116674-1;Z1508916463

Chemical Property of 8-Formyl-1-naphthoic acid

Chemical Property:

• Appearance/Colour: cream powder
• Vapor Pressure: 1.46E-08mmHg at 25°C
• Melting Point: 160-167 °C
• Boiling Point: 441.2 °C at 760 mmHg
• PKA: 2?+-.0.10(Predicted)
• Flash Point: 234.8 °C
• PSA: 54.37000
• Density: 1.354 g/cm³
• LogP: 2.35050
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 200.047344113
• Heavy Atom Count: 15
• Complexity: 262

Purity/Quality:

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

1,8-Naphthalaldehydic acid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)C=O)C(=CC=C2)C(=O)O
• Uses: 1,8-Naphthalaldehydic acid may be used in the synthesis of fused bicyclic lactams, such as:2,3,5,11b-tetrahydrobenz[de][1,3]oxazolo[3,2-a]isoquinolin-5-one2,3,4,12b-tetrahydro-6H-benz[de][1,3]oxazino[3,2-a]isoquinolin-6-one2,3,4,5,7,13b-hexahydrobenz[de][1,3]oxazepino[3,2-a]isoquinolin-7-one1,2,3,11b-tetrahydro-5H-benz[de]imidazo[3,2-a]isoquinolin-5-one1,2,3,4,6,12b-hexahydrobenzo[de]pyrimido[3,2-a]isoquinolin-7-one1,2,3,4,5,13b-hexahydro-7H-benzo[de]1,3-diazepino[3,2-a]isoquinolin-7-one7H-benzo[de]benzimidazo[3,2-a]isoquinolin-7-one2,3,5,11b-tetrahydrobenzo[de]thiazolo[3,2-a]isoquinolin-5-one(9S,9R)-methyl 5-oxo[2,3,5,11b]-tetrahydrobenz[de]oxazolo[3,2-a]isoquinoline-3-carboxylate(3R,11bS)-3-phenyl-2,3,5,11b-tetrahydrobenz[de][1,3]oxazolo[2,3-a]isoquinolin-5-one

Technology Process of 8-Formyl-1-naphthoic acid

There total 8 articles about 8-Formyl-1-naphthoic acid 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: 68.0%

acenaphthene quinone (82-86-0) → 1,8-naphthalaldehydic acid (5811-87-0)

Guidance literature:

With potassium hydroxide; at 140 ℃; for 0.333333h;

DOI:10.1139/v96-074

Reference yield:

3-Morpholin-4-yl-3H-benzo[de]isochromen-1-one → morpholine (110-91-8,99108-56-2) + 1,8-naphthalaldehydic acid (5811-87-0)

Guidance literature:

With water; hydroxide; In 1,4-dioxane; at 30 ℃; Thermodynamic data; Rate constant; ΔH(excit.), ΔS(excit.);

Reference yield:

3-(Methyl-phenyl-amino)-3H-benzo[de]isochromen-1-one → 1,8-naphthalaldehydic acid (5811-87-0) + N-methylaniline (100-61-8)

Guidance literature:

With water; hydroxide; In 1,4-dioxane; at 30 ℃; Thermodynamic data; Rate constant; ΔH(excit.), ΔS(excit.);

upstream raw materials:

hedaragenin

acenaphthene quinone

8-formyl-1-naphthalenecarboxylic acid (lactol form)

acenaphthene

Downstream raw materials:

benzo[de]benzo[4,5]imidazo[2,1-a]isoquinolin-7-one

1,8-naphthaldehydic acid methyl ester

2-phenyl-1H-phenalen-1-one

3-(3-Nitro-phenoxy)-3H-benzo[de]isochromen-1-one

Refernces

• 1、 Bowden, Keith,Misic-Vukovic, Milica M.,Ranson, Richard J.. "Ring-chain tautomerism. Part 10 +. The reaction of oxocarboxylic acids with diazodiphenylmethane". . p. 1601 - 1606. Retrieved 2007/10/03.
• 2、 Brunet,Wuest. "Formal transfers of hydride from carbon-hydrogen bonds. Attempted generation of H2 by intramolecular protonolyses of the activated carbon-hydrogen bonds of dihydrobenzimidazoles". . p. 689 - 696. Retrieved 2007/10/03.