Methyl 3-methoxycyclohexa-2,5-diene-1-carboxylate

Base Information

Chemical Name:Methyl 3-methoxycyclohexa-2,5-diene-1-carboxylate
CAS No.:113445-19-5
Molecular Formula:C9H12O3
Molecular Weight:168.192
Hs Code.:
DSSTox Substance ID:DTXSID70552263
Nikkaji Number:J3.159.736F
Mol file:113445-19-5.mol

Synonyms:113445-19-5;Methyl 3-methoxycyclohexa-2,5-diene-1-carboxylate;DTXSID70552263

Suppliers and Price of Methyl 3-methoxycyclohexa-2,5-diene-1-carboxylate

Supply Marketing:

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

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Chemical Property of Methyl 3-methoxycyclohexa-2,5-diene-1-carboxylate

Chemical Property:

XLogP3:1.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:168.078644241
Heavy Atom Count:12
Complexity:228

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC(C=CC1)C(=O)OC

Technology Process of Methyl 3-methoxycyclohexa-2,5-diene-1-carboxylate

There total 1 articles about Methyl 3-methoxycyclohexa-2,5-diene-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: 55.0%

: 5368-81-0
methyl 3-methoxybenzoate

: 113445-19-5
methyl 3-methoxycyclohexa-2,5-dienecarboxylate

Guidance literature:: With ammonia; sodium; In water; at -78 ℃; for 0.5h;
DOI:10.1021/jo3021488

Reference yield: 92.0%

: 113445-19-5
methyl 3-methoxycyclohexa-2,5-dienecarboxylate

: 70-11-1
α-bromoacetophenone

: 1408318-25-1
methyl 3-methoxy-1-(2-oxo-2-phenylethyl)cyclohexa-2,5-dienecarboxylate

Guidance literature:: methyl 3-methoxycyclohexa-2,5-dienecarboxylate; With lithium diisopropyl amide; In tetrahydrofuran; hexane; at -78 ℃; for 0.25h;

α-bromoacetophenone; With N,N,N,N,N,N-hexamethylphosphoric triamide; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 2.5h;
DOI:10.1021/jo3021488

Reference yield: 68.0%

: 113445-19-5
methyl 3-methoxycyclohexa-2,5-dienecarboxylate

: 74-88-4
methyl iodide

: 82478-18-0
3-Methoxy-1-methyl-cyclohexa-2,5-dienecarboxylic acid methyl ester

Guidance literature:: With lithium diisopropyl amide; Hexamethylphosphorous triamide; In tetrahydrofuran; 1.) -78 deg C, 2 h; 2.) -78 deg C to rt.;