2-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-5,8-dimethoxy-4-oxo-

Base Information

Chemical Name:2-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-5,8-dimethoxy-4-oxo-
CAS No.:41098-99-1
Molecular Formula:C13H14O5
Molecular Weight:250.24700
Hs Code.:
DSSTox Substance ID:DTXSID80471416
Nikkaji Number:J2.058.976K
Mol file:41098-99-1.mol

Synonyms:41098-99-1;2-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-5,8-dimethoxy-4-oxo-;SCHEMBL10787756;DTXSID80471416

Suppliers and Price of 2-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-5,8-dimethoxy-4-oxo-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 2-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-5,8-dimethoxy-4-oxo-

Chemical Property:

Melting Point:197-198 °C
Boiling Point:486.9±45.0 °C(Predicted)
PSA：72.83000
Density:1.296±0.06 g/cm3(Predicted)
LogP:1.53350
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:250.08412354
Heavy Atom Count:18
Complexity:340

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C2CC(CC(=O)C2=C(C=C1)OC)C(=O)O

Technology Process of 2-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-5,8-dimethoxy-4-oxo-

There total 2 articles about 2-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-5,8-dimethoxy-4-oxo- 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: 66.0%

: 2170-03-8
itaconic acid anhydride

: 150-78-7
1,4-dimethoxybezene

: 41098-99-1
1,2,3,4-tetrahydro-5,8-dimethoxy-4-oxonaphthalene-2-carboxylic acid

: 60186-00-7
2-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]acrylic acid

Guidance literature:: With aluminium trichloride; In dichloromethane; at 20 ℃; for 4h;
DOI:10.1081/SCC-120030758

Reference yield: 66.0%

: 97-65-4,25119-64-6
2-methylenesuccinic acid

: 150-78-7
1,4-dimethoxybezene

: 41098-99-1
1,2,3,4-tetrahydro-5,8-dimethoxy-4-oxonaphthalene-2-carboxylic acid

: 60186-00-7
2-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]acrylic acid

Guidance literature:: With PPA; at 100 ℃; for 0.166667h;
DOI:10.1081/SCC-120030758

Reference yield:

: 41098-99-1
1,2,3,4-tetrahydro-5,8-dimethoxy-4-oxonaphthalene-2-carboxylic acid

: 80027-69-6
methyl 5-benzyloxy-1,2,3,4-tetrahydro-2-hydroxy-8-methoxynaphthalene-2-carboxylate

Guidance literature:: Multi-step reaction with 5 steps

1: 85 percent / HCl / 1.5 h / Heating

2: 63 percent / BCl₃ / CH₂Cl₂ / 0.17 h / Ambient temperature

3: 81 percent / conc.HCl, H₂ / platinum oxide / methanol

4: 82.5 percent / K₂CO₃ / dimethylformamide / 4 h / 80 °C

5: 64 percent / BuLi, di-isopropylamine, triethyl phosphite, O₂ / hexane; tetrahydrofuran / -78 °C / 1.) 1 h, 2.) 80 min

With hydrogenchloride; n-butyllithium; hydrogen; oxygen; boron trichloride; potassium carbonate; diisopropylamine; triethyl phosphite; platinum(IV) oxide; In tetrahydrofuran; methanol; hexane; dichloromethane; N,N-dimethyl-formamide;