Methyl octahydro-1H-2-benzopyran-6-carboxylate

Base Information

Chemical Name:Methyl octahydro-1H-2-benzopyran-6-carboxylate
CAS No.:96565-00-3
Molecular Formula:C₁₁H₁₈O₃
Molecular Weight:198.262
Hs Code.:
DSSTox Substance ID:DTXSID60541888

Synonyms:96565-00-3;Methyl octahydro-1H-2-benzopyran-6-carboxylate;DTXSID60541888

Suppliers and Price of Methyl octahydro-1H-2-benzopyran-6-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 octahydro-1H-2-benzopyran-6-carboxylate

Chemical Property:

XLogP3:1.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:198.125594432
Heavy Atom Count:14
Complexity:215

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1CCC2COCCC2C1

Technology Process of Methyl octahydro-1H-2-benzopyran-6-carboxylate

There total 3 articles about Methyl octahydro-1H-2-benzopyran-6-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:

: 3685-22-1,3685-26-5,17419-81-7
4-hydroxycyclohexanecarboxylic acid

: 96565-00-3,96728-58-4,96728-59-5
6-carboxymethoxy-trans-2-oxadecalin

Guidance literature:: Multi-step reaction with 6 steps

1: 91.1 percent / diethyl ether / 25 °C

2: Celite, pyridinium chlorochromate (PCC) / CH₂Cl₂ / 3 h / 25 °C

3: p-toluenesulfonic aicd monohydrate, 2,2-dimethoxypropane / benzene / Heating

4: 60 percent / tetrahydrofuran; toluene / 1.) 0 deg C 1 h, 2.) 25 deg C, 3 h

5: 87.3 percent / 2N aq. HCl / tetrahydrofuran / 24 h / 25 °C

With hydrogenchloride; Celite; toluene-4-sulfonic acid; 2,2-dimethoxy-propane; pyridinium chlorochromate; In tetrahydrofuran; diethyl ether; dichloromethane; toluene; benzene;
DOI:10.1021/jo00362a012

Reference yield:

: 3685-22-1,3685-26-5,17419-81-7
4-hydroxycyclohexanecarboxylic acid

: 96565-00-3,96728-58-4,96728-59-5
6-carboxymethoxy-trans-2-oxadecalin

Guidance literature:: Multi-step reaction with 10 steps

1: 91.1 percent / diethyl ether / 25 °C

2: Celite, pyridinium chlorochromate (PCC) / CH₂Cl₂ / 3 h / 25 °C

3: p-toluenesulfonic aicd monohydrate, 2,2-dimethoxypropane / benzene / Heating

4: 60 percent / tetrahydrofuran; toluene / 1.) 0 deg C 1 h, 2.) 25 deg C, 3 h

5: 87.3 percent / 2N aq. HCl / tetrahydrofuran / 24 h / 25 °C

6: NaOMe / methanol / 48 h / Heating

7: 96 percent / NaBH₄ / methanol / 0.25 h / 0 °C

8: 92.4 percent / pyridine / 120 h / 25 °C

9: 1.) O₃, 2.) NaBH₄ / 1.) MeOH, -78 deg C, 30 min, 2.) MeOH, 0 deg C, 1 h

10: 75 percent / hexamethylphosphoramide / 2 h / 70 - 80 °C

With pyridine; hydrogenchloride; N,N,N,N,N,N-hexamethylphosphoric triamide; sodium tetrahydroborate; Celite; sodium methylate; toluene-4-sulfonic acid; ozone; 2,2-dimethoxy-propane; pyridinium chlorochromate; In tetrahydrofuran; methanol; diethyl ether; dichloromethane; toluene; benzene;
DOI:10.1021/jo00362a012

Reference yield:

: 3685-22-1,3685-26-5,17419-81-7
4-hydroxycyclohexanecarboxylic acid

: 96565-00-3,96728-58-4,96728-59-5
6-carboxymethoxy-cis-2-oxadecalin

Guidance literature:: Multi-step reaction with 6 steps

1: 91.1 percent / diethyl ether / 25 °C

2: Celite, pyridinium chlorochromate (PCC) / CH₂Cl₂ / 3 h / 25 °C

3: p-toluenesulfonic aicd monohydrate, 2,2-dimethoxypropane / benzene / Heating

4: 60 percent / tetrahydrofuran; toluene / 1.) 0 deg C 1 h, 2.) 25 deg C, 3 h

5: 87.3 percent / 2N aq. HCl / tetrahydrofuran / 24 h / 25 °C

With hydrogenchloride; Celite; toluene-4-sulfonic acid; 2,2-dimethoxy-propane; pyridinium chlorochromate; In tetrahydrofuran; diethyl ether; dichloromethane; toluene; benzene;
DOI:10.1021/jo00362a012