Oxepino[3,4-c]pyridine-3,9-dione, 5-ethyl-1,4,5,8-tetrahydro-5-hydroxy-, (5S)- (9CI)

Base Information

• Chemical Name: Oxepino[3,4-c]pyridine-3,9-dione, 5-ethyl-1,4,5,8-tetrahydro-5-hydroxy-, (5S)- (9CI)
• CAS No.: 387862-46-6
• Molecular Formula: C₁₁H₁₃NO₄
• Molecular Weight: 223.229
• Mol file: 387862-46-6.mol

Synonyms:Oxepino[3,4-c]pyridine-3,9-dione, 5-ethyl-1,4,5,8-tetrahydro-5-hydroxy-, (5S)- (9CI)

Chemical Property of Oxepino[3,4-c]pyridine-3,9-dione, 5-ethyl-1,4,5,8-tetrahydro-5-hydroxy-, (5S)- (9CI)

Chemical Property:

• PSA: 0.00000
• LogP: 0.00000

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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Technology Process of Oxepino[3,4-c]pyridine-3,9-dione, 5-ethyl-1,4,5,8-tetrahydro-5-hydroxy-, (5S)- (9CI)

There total 51 articles about Oxepino[3,4-c]pyridine-3,9-dione, 5-ethyl-1,4,5,8-tetrahydro-5-hydroxy-, (5S)- (9CI) 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: 71.0%

(+)-5-ethyl-5-hydroxy-1-methoxy-5,9-dihydro-8-oxa-2-aza-benzocyclohepten-7(6H)-one (500726-35-2) → (+)-(5R)-5-Ethyl-5-hydroxy-2,5,6,9-tetrahydro-8-oxa-2-aza-benzocycloheptene-1,7-dione (221054-70-2,387862-46-6)

Guidance literature:

With trimethylsilyl iodide; In acetonitrile; Heating;

DOI:10.1016/S0960-894X(99)00428-X

Reference yield: 54.0%

(R)-3-(3-benzyloxymethyl-2-methoxypyridin-4-yl)-3-hydroxypentanoic acid (220998-02-7) → (+)-(5R)-5-Ethyl-5-hydroxy-2,5,6,9-tetrahydro-8-oxa-2-aza-benzocycloheptene-1,7-dione (221054-70-2,387862-46-6)

Guidance literature:

With hydrogen bromide; In 1,2-dimethoxyethane; at 50 ℃; for 27h;

DOI:10.1021/jo060928v

Reference yield: 44.0%

(R)-3-hydroxy-3-(3-hydroxymethyl-2-methoxypyridin-4-yl)pentanoic acid (250347-75-2) → (+)-(5R)-5-Ethyl-5-hydroxy-2,5,6,9-tetrahydro-8-oxa-2-aza-benzocycloheptene-1,7-dione (221054-70-2,387862-46-6)

Guidance literature:

With hydrogen bromide; In 1,2-dimethoxyethane; at 20 - 50 ℃; for 18h;

DOI:10.1021/jo060928v

upstream raw materials:

(+)-(5R)-5-Ethyl-5-hydroxy-1-methoxy-5.6-dihydro-9H-8-oxa-2-aza-benzocyclohepten-7-one

1-(2-chloropyridin-4-yl)propan-1-one

4-(2-ethyl[1,3]dioxolan-2-yl)-2-methoxypyridine

4-(2-ethyl[1,3]dioxolan-2-yl)-2-methoxypyridine-3-carbaldehyde

Downstream raw materials:

8-{[6-(benzyloxy)-2-iodo-3-quinolinyl]methyl}-5-ethyl-5-hydroxy-1,4,5,8-tetrahydrooxepino[3,4-c]pyridine-3,9-dione

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