Methyl 1,2,3,4-tetrahydronaphthalene-1-carboxylate

Base Information

• Chemical Name: Methyl 1,2,3,4-tetrahydronaphthalene-1-carboxylate
• CAS No.: 17502-86-2
• Molecular Formula: C12H14 O2
• Molecular Weight: 190.242
• European Community (EC) Number: 641-675-7
• Nikkaji Number: J1.634.950J
• Mol file: 17502-86-2.mol

Synonyms:Methyl 1,2,3,4-tetrahydronaphthalene-1-carboxylate;17502-86-2;SCHEMBL769134;Methyl 1,2,3,4-Tetrahydro-1-naphthalene-carboxylate;GBNNKNLJHYPKIG-UHFFFAOYSA-N;1-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-, methyl ester;AKOS005167180;BS-27705;CS-0209854;EN300-130884;Methyl1,2,3,4-tetrahydronaphthalene-1-carboxylate;Z308244414;1,2,3,4-tetrahydro-naphthalene-1-carboxylic acid methyl ester

Chemical Property of Methyl 1,2,3,4-tetrahydronaphthalene-1-carboxylate

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 190.099379685
• Heavy Atom Count: 14
• Complexity: 212

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1CCCC2=CC=CC=C12

Technology Process of Methyl 1,2,3,4-tetrahydronaphthalene-1-carboxylate

There total 5 articles about Methyl 1,2,3,4-tetrahydronaphthalene-1-carboxylate 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: 95.0%

methanol (67-56-1) + tetralin-1-carboxylic acid (1914-65-4) → Methyl 1,2,3,4-tetrahydronaphthalene-1-carboxylate (17502-86-2)

Guidance literature:

With thionyl chloride; at 65 ℃;

Reference yield: 45.0%

tetralin-1-carboxylic acid (1914-65-4) + diazomethyl-trimethyl-silane (18107-18-1) → Methyl 1,2,3,4-tetrahydronaphthalene-1-carboxylate (17502-86-2)

Guidance literature:

In methanol; hexane; toluene; at 0 - 20 ℃; for 14.5h;

DOI:10.1021/acs.orglett.8b00583

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + (R)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid (23357-47-3) → methyl (R)-1,2,3,4-tetrahydronaphthalene-1-carboxylate (17502-86-2)

Guidance literature:

In diethyl ether;

upstream raw materials:

methanol

tetralin-1-carboxylic acid

diazomethyl-trimethyl-silane

diazomethane

Downstream raw materials:

1-(4-Phenoxybutyl)-1-tetralincarbonsaeureamid

tetralin-1-carboxylic acid

methyl 1,2,3,4-tetrahydro-4-oxonaphthalene carboxylate

1-(4-Hydroxy-benzyl)-1,2,3,4-tetrahydro-naphthalene-1-carboxylic acid