Methyl 3,4-dihydronaphthalene-2-carboxylate

Base Information

• Chemical Name: Methyl 3,4-dihydronaphthalene-2-carboxylate
• CAS No.: 51849-37-7
• Molecular Formula: C12H12O2
• Molecular Weight: 188.22200
• DSSTox Substance ID: DTXSID30499903
• Nikkaji Number: J2.947.282C
• Wikidata: Q82351128
• Mol file: 51849-37-7.mol

Synonyms:Methyl 3,4-dihydronaphthalene-2-carboxylate;51849-37-7;2-Naphthalenecarboxylic acid, 3,4-dihydro-, methyl ester;SCHEMBL7911204;DTXSID30499903;JNMHWOYCAMVQRH-UHFFFAOYSA-N;BCA84937;MFCD28365684;AKOS027338493;AS-70213;Methyl3,4-dihydronaphthalene-2-carboxylate;CS-0036272;W11170

Chemical Property of Methyl 3,4-dihydronaphthalene-2-carboxylate

Chemical Property:

• PSA: 26.30000
• LogP: 2.18920
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 188.083729621
• Heavy Atom Count: 14
• Complexity: 255

Purity/Quality:

98% ^*data from raw suppliers

methyl3,4-dihydronaphthalene-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1=CC2=CC=CC=C2CC1

Technology Process of Methyl 3,4-dihydronaphthalene-2-carboxylate

There total 10 articles about Methyl 3,4-dihydronaphthalene-2-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: 93.0%

1-hydroxy-1,2,3,4-tetrahydro-naphthalene-2-carboxylic acid methyl ester (343949-61-1) → 3,4-dihydronaphtalene-2-carboxylic acid methyl ester (51849-37-7)

Guidance literature:

toluene-4-sulfonic acid; In toluene; for 3h; Heating / reflux;

Reference yield: 92.0%

methyl (E)-2-benzylidenebut-3-enoate (67946-45-6) → 3,4-dihydronaphtalene-2-carboxylic acid methyl ester (51849-37-7)

Guidance literature:

at 400 - 425 ℃;

DOI:10.1021/jo00255a010

Reference yield: 85.0%

3,4-dihydronaphthalen-2-yl 4-methylbenzenesulfonate (849943-93-7) + methanol (67-56-1) + carbon monoxide (201230-82-2) → 3,4-dihydronaphtalene-2-carboxylic acid methyl ester (51849-37-7)

Guidance literature:

With potassium phosphate; palladium diacetate; In toluene; at 100 ℃; for 14h; under 5171.62 Torr; Inert atmosphere; Molecular sieve;

DOI:10.1021/ol200744s

upstream raw materials:

methanol

2-(Bis-methylsulfanyl-methylene)-1,2,3,4-tetrahydro-naphthalen-1-ol

methyl (E)-2-benzylidenebut-3-enoate

1-hydroxy-1,2,3,4-tetrahydro-naphthalene-2-carboxylic acid methyl ester

Downstream raw materials:

(1aR,7bS)-1-(4-Nitro-phenyl)-1,2,3,7b-tetrahydro-1-aza-cyclopropa[a]naphthalene-1a-carboxylic acid methyl ester

(3aS,9bR)-1-Benzyl-1,4,5,9b-tetrahydro-naphtho[1,2-d][1,2,3]triazole-3a-carboxylic acid methyl ester

(1aR,7bS)-1-(4-Methoxy-phenyl)-1,2,3,7b-tetrahydro-1-aza-cyclopropa[a]naphthalene-1a-carboxylic acid methyl ester

(3S,3aS,9bS)-2,3-Diphenyl-2,3,5,9b-tetrahydro-4H-benzo[e]isoindole-1,1,3a-tricarboxylic acid trimethyl ester

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